data_2ebv_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 2ebv _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 ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 37' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.464 ' N ' HG21 ' A' ' 36' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 50' ' ' SER . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' HG21 ' A' ' 49' ' ' VAL . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 36' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.4 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 40' ' ' SER . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m120 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 50' ' ' SER . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 49' ' ' VAL . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.513 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.473 ' N ' HG11 ' A' ' 39' ' ' VAL . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 50' ' ' SER . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 49' ' ' VAL . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 37' ' ' CYS . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' HG21 ' A' ' 36' ' ' VAL . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 50' ' ' SER . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 49' ' ' VAL . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 37' ' ' CYS . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 36' ' ' VAL . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.405 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.448 ' N ' HG11 ' A' ' 39' ' ' VAL . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 50' ' ' SER . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 49' ' ' VAL . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 37' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 2.2 m120 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.412 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.0 m120 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' A' ' 55' ' ' LYS . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' SER . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.497 ' OD1' ' CZ3' ' A' ' 32' ' ' TRP . 1.9 m120 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.408 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.42 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 40' ' ' SER . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' HG12 ' A' ' 39' ' ' VAL . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 1.8 m120 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 50' ' ' SER . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 49' ' ' VAL . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 37' ' ' CYS . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HG21 ' A' ' 36' ' ' VAL . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' SER . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' HG21 ' A' ' 36' ' ' VAL . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 37' ' ' CYS . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.448 ' N ' HG22 ' A' ' 36' ' ' VAL . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 50' ' ' SER . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 49' ' ' VAL . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.431 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . 0.418 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 50' ' ' SER . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . 0.408 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 50' ' ' SER . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' HG21 ' A' ' 49' ' ' VAL . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . 0.49 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.536 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 19.9 ttpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 40' ' ' SER . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 39' ' ' VAL . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.9 m120 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.528 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 40' ' ' SER . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 39' ' ' VAL . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' LYS . . . . . 0.528 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 18.0 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -135.08 136.75 42.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -113.64 164.57 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 40.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.09 176.09 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -95.64 111.23 23.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.75 135.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 t -61.62 114.35 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -126.12 102.45 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 p -75.89 137.69 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.1 p -116.45 161.45 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.2 m -107.03 -37.95 6.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -61.1 149.38 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.95 117.45 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 t -69.24 149.34 48.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p 52.03 40.0 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.46 106.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -107.31 140.82 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.4 ' C ' HD12 ' A' ' 19' ' ' LEU . 4.2 pp -121.85 176.47 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.13 147.23 19.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.5 t80 59.82 42.24 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -39.48 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -125.1 171.96 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -88.65 159.36 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -135.68 114.6 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.43 114.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 143.95 49.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 163.59 37.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.73 -60.8 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.34 -71.25 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m -59.29 178.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.464 HG21 ' N ' ' A' ' 37' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.464 ' N ' HG21 ' A' ' 36' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.444 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.46 HG21 ' N ' ' A' ' 50' ' ' SER . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.46 ' N ' HG21 ' A' ' 49' ' ' VAL . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -65.68 135.13 95.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 135.05 29.44 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t 52.55 42.22 31.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -143.51 102.37 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -173.07 23.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -111.3 133.23 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -112.31 154.22 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.75 -59.56 5.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 t -143.87 117.31 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -137.45 167.76 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -56.17 159.92 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -119.09 112.52 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.1 p -162.31 164.3 27.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.433 HG21 ' N ' ' A' ' 14' ' ' VAL . 90.9 m -138.5 139.11 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.433 ' N ' HG21 ' A' ' 13' ' ' THR . 14.6 p -70.84 120.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.3 p -87.65 125.93 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -152.49 135.8 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 69.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -128.93 102.48 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -96.98 115.3 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -150.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 22' ' ' GLY . 20.0 p90 -97.85 -55.99 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 21' ' ' PHE . . . -153.48 60.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.64 113.28 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -109.16 146.96 33.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.32 161.95 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -110.81 110.47 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -138.53 152.41 70.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.32 14.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.18 146.61 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.46 -50.24 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p -57.98 142.65 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.438 HG22 ' N ' ' A' ' 37' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.438 ' N ' HG22 ' A' ' 36' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -68.88 134.55 89.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.485 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -61.11 -60.44 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -116.13 131.62 56.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.94 86.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -153.54 143.25 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -152.07 151.37 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.37 170.01 42.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -82.99 142.35 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -125.48 143.31 51.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -61.78 148.23 43.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.0 m -142.51 127.07 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.94 160.08 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 p -63.27 -53.05 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 p -153.41 136.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -106.25 142.02 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 p -52.99 113.92 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.5 177.04 16.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 8.9 t -90.93 -42.0 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.188 -179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.463 ' CD1' ' HB2' ' A' ' 21' ' ' PHE . 1.6 pp -51.95 173.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 59.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.463 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 21.1 t80 -61.91 148.55 43.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . 127.32 -43.26 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.26 -41.63 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -77.59 8.78 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' O ' ' CG ' ' A' ' 25' ' ' PHE . 2.2 p90 -61.65 114.03 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -57.15 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -164.44 159.25 15.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.39 57.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.9 mp -95.01 -42.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.03 42.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -66.54 178.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.4 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.4 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 40' ' ' SER . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 39' ' ' VAL . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m120 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.456 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.408 HG21 ' N ' ' A' ' 50' ' ' SER . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.408 ' N ' HG21 ' A' ' 49' ' ' VAL . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.506 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp -84.88 134.45 41.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.46 54.13 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.477 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m 54.94 42.15 31.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.4 p -44.2 -53.62 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.94 -142.75 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -106.22 142.91 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -110.81 162.47 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.94 -78.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -95.56 165.57 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 -59.95 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -157.31 168.24 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 53.3 p -119.28 134.89 54.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -133.18 150.18 52.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p 52.04 41.46 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 31.5 m -92.32 -41.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 39.0 p -122.21 133.36 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 m -57.01 -54.68 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.29 -136.02 13.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -148.24 151.63 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.75 141.53 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.56 48.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.44 147.29 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.14 -165.57 28.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 58.25 41.25 23.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -87.65 -49.51 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.47 -51.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.29 -45.04 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -84.66 158.12 60.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 154.36 67.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.445 ' N ' HD12 ' A' ' 29' ' ' ILE . 4.9 mp -97.78 -62.77 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.25 46.79 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p -78.77 141.45 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.513 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.473 ' N ' HG11 ' A' ' 39' ' ' VAL . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.471 HG23 ' N ' ' A' ' 50' ' ' SER . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.471 ' N ' HG23 ' A' ' 49' ' ' VAL . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.513 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp -81.57 139.06 47.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.49 60.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.487 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -116.07 147.87 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -137.49 164.04 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.01 70.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -96.66 121.24 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -139.96 161.82 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.19 -90.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -61.77 139.48 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -146.77 131.92 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -74.44 -60.58 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -82.45 162.87 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -56.04 143.84 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -71.63 -44.62 64.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.35 155.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -87.71 155.56 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -107.25 122.48 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.13 100.43 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.7 p -77.29 -42.22 37.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.169 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.36 155.87 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . -123.83 107.42 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' GLY . 26.3 p90 -36.88 -47.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 133.22 19.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.58 -49.06 70.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -124.33 140.58 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.27 103.76 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 52.19 40.88 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.432 ' NH1' ' HB3' ' A' ' 27' ' ' ARG . 15.9 mtp-105 -150.84 155.31 35.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.44 66.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pp -116.54 178.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.08 26.56 6.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -119.64 146.48 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.477 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.446 HG21 ' N ' ' A' ' 37' ' ' CYS . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.446 ' N ' HG21 ' A' ' 36' ' ' VAL . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.472 HG21 ' N ' ' A' ' 50' ' ' SER . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.472 ' N ' HG21 ' A' ' 49' ' ' VAL . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.477 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm -87.85 137.29 31.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.34 38.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.482 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -162.3 163.18 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -165.61 157.97 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 -176.82 35.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -142.65 149.84 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -132.14 149.03 52.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.66 58.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -103.41 17.18 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -63.38 121.11 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.6 p -148.16 164.61 33.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -110.95 106.22 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.8 t -137.9 150.54 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -61.73 148.6 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -96.22 131.38 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 m -114.3 123.44 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -63.63 150.48 44.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.3 -110.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -90.55 127.42 36.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.39 143.03 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -135.1 14.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.57 135.14 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.06 98.73 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -147.3 140.71 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.367 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -101.58 120.68 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -45.08 -61.73 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.67 135.48 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -64.44 152.05 89.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.18 14.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -80.41 -41.4 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.42 95.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m -58.56 179.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.434 HG23 ' N ' ' A' ' 37' ' ' CYS . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.434 ' N ' HG23 ' A' ' 36' ' ' VAL . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.405 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.458 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -91.63 135.16 28.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 178.93 4.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.515 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -154.91 117.05 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -129.46 129.74 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 56.68 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -73.43 113.97 11.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -132.16 119.7 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.66 91.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -58.92 128.66 38.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -129.1 113.03 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 t -76.41 121.44 23.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.6 p -155.18 159.77 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.46 116.59 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -65.03 110.87 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -103.03 133.79 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 m -111.53 110.43 20.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -110.8 146.27 36.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.41 -64.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -67.97 -38.7 83.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -138.25 125.15 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.58 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.72 -43.89 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.48 -66.83 0.57 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.56 116.74 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.419 ' HG3' ' N ' ' A' ' 25' ' ' PHE . 10.4 pttm -56.32 -37.21 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . 0.419 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 9.1 p90 -107.07 131.14 54.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 105.72 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -58.89 152.52 48.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 5.02 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mt 60.91 48.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 94.25 79.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p -72.25 166.85 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.448 ' N ' HG11 ' A' ' 39' ' ' VAL . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.496 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.482 HG23 ' N ' ' A' ' 50' ' ' SER . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.482 ' N ' HG23 ' A' ' 49' ' ' VAL . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -85.63 134.77 39.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.25 44.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.4 m -35.47 -60.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 55.67 42.2 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.01 121.57 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -95.04 154.68 17.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -95.28 158.23 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 87.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -141.48 128.45 20.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -88.57 -47.09 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -88.72 118.7 28.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -87.73 -51.44 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.7 151.4 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 14' ' ' VAL . 7.0 t -73.06 -32.35 64.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -179.877 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.461 ' N ' HG23 ' A' ' 13' ' ' THR . 93.3 t -56.25 146.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.8 p -62.6 -41.95 99.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 23.6 m -56.1 139.08 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.83 -72.75 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.3 p -91.18 156.66 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 mt -94.85 139.5 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.47 78.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.88 115.0 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 -144.04 15.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.83 129.17 18.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -124.41 126.29 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -110.24 162.14 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.7 -50.03 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -60.09 143.88 87.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 164.28 35.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' GLY . 46.1 mm -88.68 117.15 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . . . 34.33 40.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -129.78 152.48 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 HG23 ' N ' ' A' ' 37' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.459 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.516 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 2.2 m120 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.412 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.412 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm -84.63 134.09 42.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 123.47 10.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.404 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.444 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -144.92 172.95 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -105.39 173.39 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.82 155.22 26.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -105.19 173.52 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -71.55 128.92 37.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.3 138.35 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.5 p -63.82 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -58.55 107.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -113.87 128.27 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m -55.83 166.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -157.87 124.71 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.1 p -112.64 106.45 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.32 113.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -92.11 150.29 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.9 t -148.31 123.04 9.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.73 118.19 3.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.422 ' C ' HD12 ' A' ' 19' ' ' LEU . 12.8 t -147.28 171.31 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.422 HD12 ' C ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.84 174.74 10.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.53 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -74.14 -58.41 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.48 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.66 142.45 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.75 126.15 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.09 -42.32 38.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.27 160.88 2.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -134.32 152.48 78.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.724 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.88 40.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.8 mt -70.13 -63.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.61 67.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p -67.2 166.72 13.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -75.1 132.1 77.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.481 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -59.57 138.97 57.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -166.73 154.14 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -55.12 9.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p 52.26 37.17 21.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -157.03 148.41 22.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 -143.26 3.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -131.15 131.48 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 t -166.07 153.62 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.93 -61.34 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.8 p -164.24 159.34 19.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.8 m -93.9 120.94 34.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -130.9 142.67 50.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.454 HG11 ' N ' ' A' ' 15' ' ' THR . 6.0 p -62.29 -45.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.454 ' N ' HG11 ' A' ' 14' ' ' VAL . 24.0 m 67.19 44.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 26.2 m -128.63 132.53 48.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.96 -137.25 8.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.5 p -107.76 16.99 23.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.8 -44.18 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.91 153.73 25.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -43.48 -44.13 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.21 164.91 28.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -80.7 171.11 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -76.34 -46.79 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -132.65 123.05 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -49.47 -49.34 45.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -102.64 153.14 38.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.58 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -69.46 -60.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.96 37.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m -85.03 175.82 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.413 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.455 ' N ' HG12 ' A' ' 39' ' ' VAL . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.0 m120 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt -69.73 133.1 88.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.0 61.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.515 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -89.88 106.23 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -136.86 140.11 42.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 95.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -81.78 15.21 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -154.68 164.26 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.16 -94.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -166.03 174.94 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -128.89 125.79 38.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -91.52 -47.92 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 61.18 42.16 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.75 -37.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.75 121.28 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -90.64 125.29 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p -114.32 164.47 13.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.46 -116.16 2.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 13.5 t -115.84 128.94 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.08 -42.97 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.17 104.46 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -57.85 -49.01 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.77 -80.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.41 145.77 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 153.86 40.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -62.88 -46.03 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -65.93 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -95.7 151.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.3 17.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.3 mm -80.96 -52.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.09 -77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -71.75 177.13 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.5 ' CD2' ' HG3' ' A' ' 55' ' ' LYS . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.424 HG12 ' N ' ' A' ' 40' ' ' SER . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.424 ' N ' HG12 ' A' ' 39' ' ' VAL . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.497 ' OD1' ' CZ3' ' A' ' 32' ' ' TRP . 1.9 m120 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.408 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.5 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt -89.01 138.36 29.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -173.6 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -53.67 -55.85 22.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -108.32 131.34 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.21 140.27 15.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -89.34 162.48 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.918 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.92 171.32 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.54 79.58 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 p -137.81 107.05 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -147.9 123.62 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -137.64 125.55 22.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p 52.11 39.98 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -104.4 131.28 51.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -104.4 126.93 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.467 HG21 ' N ' ' A' ' 15' ' ' THR . 23.8 m -76.41 -32.41 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.467 ' N ' HG21 ' A' ' 14' ' ' VAL . 9.0 t -125.46 142.32 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -145.06 154.37 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.62 113.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.4 p -60.61 112.85 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.91 111.09 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.77 -89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.68 -55.84 5.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 178.2 38.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.06 -52.86 20.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -142.99 166.44 24.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.59 -43.98 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -102.94 175.4 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -90.64 152.46 45.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.7 mp -67.15 141.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.5 -75.7 1.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p -59.48 170.68 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.42 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.408 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.42 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 40' ' ' SER . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.465 ' N ' HG12 ' A' ' 39' ' ' VAL . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 1.8 m120 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.46 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.431 HG23 ' N ' ' A' ' 50' ' ' SER . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.431 ' N ' HG23 ' A' ' 49' ' ' VAL . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.458 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt -88.16 133.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.57 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -89.77 146.01 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -74.05 167.94 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.93 79.6 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -129.33 131.79 46.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -138.43 109.64 6.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -142.4 122.52 13.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 p -79.51 133.85 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -88.54 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.5 t -95.46 163.3 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.9 p -133.92 141.06 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 27.5 m -135.41 142.65 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 8.2 t 56.19 47.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 62.7 m -91.11 146.68 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' THR . 41.5 p -36.6 -51.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.43 164.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -70.91 141.53 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.7 mp -58.3 -55.93 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.62 90.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -106.56 -37.95 6.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.1 166.45 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.443 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.32 157.65 29.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -87.43 125.85 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -69.23 175.76 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 141.2 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.6 152.98 43.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.27 68.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -105.02 106.91 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.3 43.5 96.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -57.86 158.59 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.447 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.447 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.447 HG21 ' N ' ' A' ' 37' ' ' CYS . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.447 ' N ' HG21 ' A' ' 36' ' ' VAL . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -64.74 132.39 95.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -67.43 147.61 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.393 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -147.28 111.95 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -124.63 153.19 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -156.55 124.0 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.52 116.21 4.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -103.15 148.23 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -81.85 109.03 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -101.08 169.09 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -74.34 135.89 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -74.18 165.55 24.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.8 p -57.2 112.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.32 146.97 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m 61.86 42.38 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.0 m -64.21 -42.33 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.56 51.68 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 12.2 t -52.91 118.94 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.169 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.407 HD11 ' C ' ' A' ' 19' ' ' LEU . 2.3 pp -72.05 -39.23 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.98 103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.55 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -71.44 150.44 44.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.14 93.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -149.39 160.47 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 124.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -83.33 159.72 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm 61.01 41.08 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.97 152.37 46.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.18 69.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.15 115.96 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.62 -44.1 1.57 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 164.61 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.408 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.437 HG21 ' CB ' ' A' ' 53' ' ' SER . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.408 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.437 ' CB ' HG21 ' A' ' 36' ' ' VAL . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -81.04 132.19 57.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.1 58.11 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.481 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -81.0 13.24 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -86.26 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 103.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -159.32 159.63 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -85.16 150.88 24.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.57 -83.28 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 m -60.48 154.8 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -148.51 169.42 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -115.25 108.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -133.07 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.02 133.37 37.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -68.52 -58.45 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 27.0 m -122.81 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.2 m -65.96 -43.37 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 14.0 t -134.21 140.95 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.56 68.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -81.49 17.23 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -52.02 154.53 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 -87.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.71 -62.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.48 121.22 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.42 -52.78 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -84.73 127.15 33.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -89.26 16.93 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -102.87 145.74 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -71.5 156.02 91.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.66 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm 54.22 47.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.0 -61.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m -60.72 170.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.436 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.448 HG22 ' N ' ' A' ' 37' ' ' CYS . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.448 ' N ' HG22 ' A' ' 36' ' ' VAL . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.454 HG21 ' N ' ' A' ' 50' ' ' SER . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.454 ' N ' HG21 ' A' ' 49' ' ' VAL . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.436 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp -74.47 131.58 79.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 131.01 20.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -93.35 -49.92 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -154.44 171.79 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 55.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -123.09 141.28 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -68.45 173.26 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.73 76.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 p -149.44 161.42 42.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -74.01 154.21 39.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -157.59 128.61 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -139.67 124.35 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -86.55 139.5 30.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.446 HG22 ' N ' ' A' ' 14' ' ' VAL . 56.2 m -86.52 141.48 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.446 ' N ' HG22 ' A' ' 13' ' ' THR . 98.3 t -64.6 111.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 p -69.07 128.88 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -93.21 132.4 37.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.63 134.95 13.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.424 ' C ' HD12 ' A' ' 19' ' ' LEU . 11.0 t -88.89 163.95 15.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.469 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -116.25 132.95 56.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.78 53.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -127.77 135.17 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 23' ' ' ASP . . . 135.3 63.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . 0.502 ' CG ' ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER 51.61 39.93 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -110.48 132.71 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.39 12.89 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -45.03 -48.26 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -78.06 154.8 80.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.09 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 11.7 mt 52.01 44.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 54.25 30.22 47.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -82.6 179.4 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.527 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.418 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.431 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . 0.418 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . 0.408 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.474 HG22 ' N ' ' A' ' 50' ' ' SER . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.474 ' N ' HG22 ' A' ' 49' ' ' VAL . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . 0.408 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.527 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm -101.08 133.79 20.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 145.02 56.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -93.54 13.34 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.2 143.42 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.2 -102.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -112.04 146.2 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -142.1 160.93 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -125.78 1.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -113.01 128.47 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -58.77 131.07 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 p -146.08 106.59 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -154.02 132.52 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.93 152.88 22.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' THR . . . . . 0.512 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 9.0 t -154.64 150.51 27.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.512 ' CG2' ' O ' ' A' ' 13' ' ' THR . 25.1 m 46.15 31.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.3 m -68.48 -63.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.433 ' O ' ' C ' ' A' ' 17' ' ' GLY . 3.5 t -150.54 118.23 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' THR . . . 35.09 40.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 41.1 p -113.61 108.45 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -122.23 116.61 24.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.87 76.15 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -80.38 13.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.13 105.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -82.81 113.01 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 2.3 pptp? -78.49 150.44 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -142.66 148.34 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -49.87 -49.61 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -93.15 151.6 40.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 165.11 32.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.9 -48.34 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -175.75 42.53 0.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -82.21 141.34 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.461 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.461 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . 0.466 HG21 ' N ' ' A' ' 50' ' ' SER . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.466 ' N ' HG21 ' A' ' 49' ' ' VAL . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -78.38 137.46 59.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.34 3.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -64.6 144.64 57.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -94.43 -52.76 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.28 -176.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -128.58 119.08 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -154.71 166.0 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 105.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -105.68 151.63 24.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -144.83 173.49 11.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 m -132.04 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 p -137.52 144.09 41.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.41 137.0 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -87.69 107.33 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -81.16 164.35 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . 0.458 ' CG2' HG23 ' A' ' 18' ' ' THR . 38.3 m -73.97 123.51 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -80.1 -45.72 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.528 ' O ' ' CG2' ' A' ' 18' ' ' THR . . . -138.99 -122.25 1.99 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' THR . . . . . 0.528 ' CG2' ' O ' ' A' ' 17' ' ' GLY . 12.2 t 47.88 32.02 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.417 HD11 ' C ' ' A' ' 19' ' ' LEU . 4.4 pp -161.08 158.51 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.898 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.99 -137.31 13.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 58.4 41.85 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.25 115.71 1.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.49 125.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -78.57 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.4 tmmm? -125.91 144.15 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 26.5 mtm105 -134.64 158.04 75.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.1 -48.11 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.09 55.64 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -139.59 176.03 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . 0.49 ' SG ' ' CG2' ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.49 ' CG2' ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.439 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.439 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.536 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 19.9 ttpp -85.61 138.41 35.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.486 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -111.1 135.66 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -113.22 159.7 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.05 -44.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -59.85 167.75 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -78.94 135.98 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.18 -153.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -148.28 162.0 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -87.65 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 m -128.41 177.41 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -61.0 171.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.68 130.27 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 m -103.91 139.74 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.52 172.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.9 m -90.71 131.47 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLY . 94.5 m -144.46 143.51 30.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' THR . . . -35.29 -58.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -93.32 127.92 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 -179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.5 mt -100.04 128.45 46.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.77 -43.42 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -84.72 128.79 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.96 148.61 27.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.444 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.0 mptp? -80.2 12.86 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -91.8 -45.89 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.75 -47.38 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -55.37 156.58 7.94 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.09 -42.19 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.58 103.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -150.76 176.78 10.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.536 ' CE3' ' HD2' ' A' ' 56' ' ' PRO . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.428 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.403 HG13 ' N ' ' A' ' 40' ' ' SER . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.403 ' N ' HG13 ' A' ' 39' ' ' VAL . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . 0.5 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.9 m120 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.449 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm -69.13 132.58 90.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . 0.536 ' HD2' ' CE3' ' A' ' 32' ' ' TRP . 53.6 Cg_endo -69.77 156.66 62.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -128.22 136.42 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -153.25 143.89 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.92 -149.11 20.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -90.96 117.29 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -40.06 -49.96 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.95 46.53 5.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -68.47 126.74 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -100.91 131.81 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -80.31 152.85 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -94.18 -50.29 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.03 157.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -129.54 128.57 43.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.89 122.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.7 m -117.83 -36.85 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -42.73 -40.48 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -43.92 -84.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.8 t 42.54 31.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LEU . . . . . 0.465 HD11 ' N ' ' A' ' 20' ' ' GLY . 3.1 pp -59.96 -36.09 76.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.465 ' N ' HD11 ' A' ' 19' ' ' LEU . . . 130.08 -156.99 21.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -103.17 122.21 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.77 -112.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.85 173.02 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 137.47 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -91.27 107.25 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -118.08 163.3 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -70.61 141.74 88.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 147.99 63.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.11 105.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.3 -52.78 4.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -54.59 142.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.528 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.467 HG12 ' N ' ' A' ' 40' ' ' SER . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . 0.467 ' N ' HG12 ' A' ' 39' ' ' VAL . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLU . . . . . 0.432 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASP . . . . . 0.432 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' LYS . . . . . 0.528 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 18.0 ttpp -87.43 135.08 34.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.15 34.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.559 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.466 ' HB2' HD22 ' A' ' 41' ' ' ASN . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' HG23 ' A' ' 39' ' ' VAL . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.427 HG23 ' SG ' ' A' ' 37' ' ' CYS . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.466 HD22 ' HB2' ' A' ' 34' ' ' CYS . 4.4 m-20 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 39' ' ' VAL . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 37' ' ' CYS . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.5 m-80 -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' HG22 ' A' ' 36' ' ' VAL . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 4.6 m-20 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' A' ' 37' ' ' CYS . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.445 ' HB2' HD22 ' A' ' 41' ' ' ASN . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.445 HD22 ' HB2' ' A' ' 34' ' ' CYS . 4.0 m-20 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.639 ' CZ3' ' ND2' ' A' ' 41' ' ' ASN . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 36' ' ' VAL . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.639 ' ND2' ' CZ3' ' A' ' 32' ' ' TRP . 3.9 m-20 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.428 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.542 ' HB2' HD22 ' A' ' 41' ' ' ASN . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' HG23 ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.542 HD22 ' HB2' ' A' ' 34' ' ' CYS . 3.6 m-20 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 37' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.61 HG21 ' OG ' ' A' ' 53' ' ' SER . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.61 ' OG ' HG21 ' A' ' 36' ' ' VAL . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.538 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.643 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 19.9 ttpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 37' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' N ' HG23 ' A' ' 36' ' ' VAL . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 m-80 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.54 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 18.0 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -135.08 136.75 42.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -113.64 164.57 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 40.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.09 176.09 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -95.64 111.23 23.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.75 135.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 t -61.62 114.35 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -126.12 102.45 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 p -75.89 137.69 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.1 p -116.45 161.45 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.2 m -107.03 -37.95 6.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -61.1 149.38 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.95 117.45 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 t -69.24 149.34 48.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p 52.03 40.0 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.46 106.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -107.31 140.82 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.85 176.47 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.13 147.23 19.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.5 t80 59.82 42.24 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -39.48 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -125.1 171.96 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -88.65 159.36 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -135.68 114.6 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.43 114.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 143.95 49.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 163.59 37.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.73 -60.8 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.34 -71.25 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m -59.29 178.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.559 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 3.9 m-20 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -65.68 135.13 95.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 135.05 29.44 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t 52.55 42.22 31.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -143.51 102.37 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -173.07 23.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -111.3 133.23 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -112.31 154.22 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.75 -59.56 5.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 t -143.87 117.31 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -137.45 167.76 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -56.17 159.92 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -119.09 112.52 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.1 p -162.31 164.3 27.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -138.5 139.11 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 14' ' ' VAL . 14.6 p -70.84 120.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.3 p -87.65 125.93 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -152.49 135.8 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 69.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -128.93 102.48 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -96.98 115.3 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -150.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 22' ' ' GLY . 20.0 p90 -97.85 -55.99 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 21' ' ' PHE . . . -153.48 60.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.64 113.28 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -109.16 146.96 33.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.32 161.95 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -110.81 110.47 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -138.53 152.41 70.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.32 14.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.18 146.61 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.46 -50.24 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p -57.98 142.65 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -68.88 134.55 89.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.485 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -61.11 -60.44 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -116.13 131.62 56.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.94 86.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -153.54 143.25 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -152.07 151.37 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.37 170.01 42.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -82.99 142.35 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -125.48 143.31 51.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -61.78 148.23 43.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.0 m -142.51 127.07 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.94 160.08 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 p -63.27 -53.05 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 p -153.41 136.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -106.25 142.02 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 p -52.99 113.92 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.5 177.04 16.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 19' ' ' LEU . 8.9 t -90.93 -42.0 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.188 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 21' ' ' PHE . 1.6 pp -51.95 173.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 59.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 21.1 t80 -61.91 148.55 43.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . 127.32 -43.26 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.26 -41.63 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -77.59 8.78 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 25' ' ' PHE . 2.2 p90 -61.65 114.03 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -57.15 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -164.44 159.25 15.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.39 57.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mp -95.01 -42.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.03 42.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -66.54 178.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' HG23 ' A' ' 39' ' ' VAL . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m120 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp -84.88 134.45 41.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.46 54.13 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.477 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m 54.94 42.15 31.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.4 p -44.2 -53.62 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.94 -142.75 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -106.22 142.91 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -110.81 162.47 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.94 -78.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -95.56 165.57 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 -59.95 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -157.31 168.24 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HB2' HG11 ' A' ' 14' ' ' VAL . 53.3 p -119.28 134.89 54.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -133.18 150.18 52.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p 52.04 41.46 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 11' ' ' SER . 31.5 m -92.32 -41.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.0 p -122.21 133.36 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 m -57.01 -54.68 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.29 -136.02 13.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -148.24 151.63 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.75 141.53 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.56 48.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.44 147.29 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.14 -165.57 28.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 58.25 41.25 23.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -87.65 -49.51 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.47 -51.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.29 -45.04 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -84.66 158.12 60.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 154.36 67.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.9 mp -97.78 -62.77 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -116.25 46.79 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p -78.77 141.45 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp -81.57 139.06 47.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.49 60.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.487 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -116.07 147.87 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -137.49 164.04 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.01 70.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -96.66 121.24 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -139.96 161.82 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.19 -90.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -61.77 139.48 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -146.77 131.92 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -74.44 -60.58 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -82.45 162.87 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -56.04 143.84 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -71.63 -44.62 64.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.35 155.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -87.71 155.56 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -107.25 122.48 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.13 100.43 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.7 p -77.29 -42.22 37.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.169 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.36 155.87 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . -123.83 107.42 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' GLY . 26.3 p90 -36.88 -47.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 133.22 19.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.58 -49.06 70.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -124.33 140.58 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.27 103.76 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 52.19 40.88 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 15.9 mtp-105 -150.84 155.31 35.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.44 66.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pp -116.54 178.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.08 26.56 6.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -119.64 146.48 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm -87.85 137.29 31.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.34 38.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.482 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -162.3 163.18 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -165.61 157.97 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 -176.82 35.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -142.65 149.84 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -132.14 149.03 52.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.66 58.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -103.41 17.18 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -63.38 121.11 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.6 p -148.16 164.61 33.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -110.95 106.22 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.8 t -137.9 150.54 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -61.73 148.6 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -96.22 131.38 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 m -114.3 123.44 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -63.63 150.48 44.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.3 -110.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -90.55 127.42 36.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.39 143.03 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -135.1 14.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.57 135.14 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.06 98.73 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -147.3 140.71 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.367 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -101.58 120.68 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -45.08 -61.73 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.67 135.48 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -64.44 152.05 89.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.18 14.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -80.41 -41.4 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.42 95.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m -58.56 179.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -91.63 135.16 28.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 178.93 4.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.515 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -154.91 117.05 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -129.46 129.74 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 56.68 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -73.43 113.97 11.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -132.16 119.7 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.66 91.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -58.92 128.66 38.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -129.1 113.03 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 t -76.41 121.44 23.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.6 p -155.18 159.77 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.46 116.59 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -65.03 110.87 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -103.03 133.79 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 m -111.53 110.43 20.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -110.8 146.27 36.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.41 -64.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -67.97 -38.7 83.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -138.25 125.15 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.58 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.72 -43.89 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.48 -66.83 0.57 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.56 116.74 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' PHE . 10.4 pttm -56.32 -37.21 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 9.1 p90 -107.07 131.14 54.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 105.72 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -58.89 152.52 48.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 5.02 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mt 60.91 48.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.656 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 94.25 79.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p -72.25 166.85 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 39' ' ' VAL . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG23 ' SG ' ' A' ' 37' ' ' CYS . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.5 m-80 -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -85.63 134.77 39.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.25 44.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.4 m -35.47 -60.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 55.67 42.2 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.01 121.57 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -95.04 154.68 17.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -95.28 158.23 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 87.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -141.48 128.45 20.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -88.57 -47.09 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -88.72 118.7 28.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -87.73 -51.44 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.7 151.4 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -73.06 -32.35 64.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 16' ' ' THR . 93.3 t -56.25 146.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.8 p -62.6 -41.95 99.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.589 ' H ' HG12 ' A' ' 14' ' ' VAL . 23.6 m -56.1 139.08 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.83 -72.75 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.3 p -91.18 156.66 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 mt -94.85 139.5 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.47 78.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.88 115.0 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 -144.04 15.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.83 129.17 18.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -124.41 126.29 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -110.24 162.14 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.7 -50.03 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -60.09 143.88 87.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 164.28 35.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' GLY . 46.1 mm -88.68 117.15 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . . . 34.33 40.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -129.78 152.48 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' HG22 ' A' ' 36' ' ' VAL . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 4.6 m-20 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm -84.63 134.09 42.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 123.47 10.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.404 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.444 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -144.92 172.95 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -105.39 173.39 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.82 155.22 26.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -105.19 173.52 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -71.55 128.92 37.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.3 138.35 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.5 p -63.82 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -58.55 107.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -113.87 128.27 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m -55.83 166.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -157.87 124.71 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.1 p -112.64 106.45 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.32 113.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -92.11 150.29 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' THR . 14.9 t -148.31 123.04 9.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.73 118.19 3.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 19' ' ' LEU . 12.8 t -147.28 171.31 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.84 174.74 10.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.53 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -74.14 -58.41 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.48 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.66 142.45 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.75 126.15 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.09 -42.32 38.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.27 160.88 2.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -134.32 152.48 78.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.724 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.88 40.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.8 mt -70.13 -63.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.61 67.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p -67.2 166.72 13.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' A' ' 37' ' ' CYS . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -75.1 132.1 77.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.481 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -59.57 138.97 57.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -166.73 154.14 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -55.12 9.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p 52.26 37.17 21.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -157.03 148.41 22.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 -143.26 3.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -131.15 131.48 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 t -166.07 153.62 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.93 -61.34 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.8 p -164.24 159.34 19.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.8 m -93.9 120.94 34.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -130.9 142.67 50.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' OG1' ' A' ' 16' ' ' THR . 6.0 p -62.29 -45.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 15' ' ' THR . 24.0 m 67.19 44.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.498 ' OG1' HG22 ' A' ' 14' ' ' VAL . 26.2 m -128.63 132.53 48.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.96 -137.25 8.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.5 p -107.76 16.99 23.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.8 -44.18 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.91 153.73 25.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -43.48 -44.13 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.21 164.91 28.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -80.7 171.11 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -76.34 -46.79 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -132.65 123.05 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -49.47 -49.34 45.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -102.64 153.14 38.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.58 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -69.46 -60.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.96 37.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m -85.03 175.82 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.0 m120 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt -69.73 133.1 88.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.0 61.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.515 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -89.88 106.23 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -136.86 140.11 42.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 95.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -81.78 15.21 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -154.68 164.26 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.16 -94.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -166.03 174.94 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -128.89 125.79 38.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -91.52 -47.92 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 61.18 42.16 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.75 -37.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.75 121.28 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -90.64 125.29 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p -114.32 164.47 13.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.46 -116.16 2.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 18' ' ' THR . 13.5 t -115.84 128.94 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.08 -42.97 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.17 104.46 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -57.85 -49.01 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.77 -80.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.41 145.77 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 153.86 40.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -62.88 -46.03 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -65.93 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -95.7 151.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.3 17.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.3 mm -80.96 -52.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.09 -77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -71.75 177.13 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.639 ' CZ3' ' ND2' ' A' ' 41' ' ' ASN . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 36' ' ' VAL . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.639 ' ND2' ' CZ3' ' A' ' 32' ' ' TRP . 3.9 m-20 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.6 m120 -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.428 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt -89.01 138.36 29.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -173.6 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -53.67 -55.85 22.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -108.32 131.34 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.21 140.27 15.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -89.34 162.48 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.918 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.92 171.32 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.54 79.58 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 p -137.81 107.05 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -147.9 123.62 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -137.64 125.55 22.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p 52.11 39.98 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -104.4 131.28 51.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -104.4 126.93 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -76.41 -32.41 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -125.46 142.32 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -145.06 154.37 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.62 113.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.4 p -60.61 112.85 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.91 111.09 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.77 -89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.68 -55.84 5.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 178.2 38.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.06 -52.86 20.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -142.99 166.44 24.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.59 -43.98 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -102.94 175.4 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -90.64 152.46 45.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -67.15 141.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.5 -75.7 1.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p -59.48 170.68 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' HG23 ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 1.8 m120 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt -88.16 133.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.57 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -89.77 146.01 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -74.05 167.94 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.93 79.6 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -129.33 131.79 46.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -138.43 109.64 6.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -142.4 122.52 13.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 p -79.51 133.85 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -88.54 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.5 t -95.46 163.3 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.9 p -133.92 141.06 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.921 HG22 HG23 ' A' ' 14' ' ' VAL . 27.5 m -135.41 142.65 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 13' ' ' THR . 8.2 t 56.19 47.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 62.7 m -91.11 146.68 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' THR . 41.5 p -36.6 -51.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.43 164.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -70.91 141.53 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 19' ' ' LEU . 6.7 mp -58.3 -55.93 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.62 90.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -106.56 -37.95 6.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.1 166.45 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.443 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.32 157.65 29.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -87.43 125.85 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -69.23 175.76 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 141.2 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.6 152.98 43.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.27 68.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -105.02 106.91 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.3 43.5 96.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -57.86 158.59 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.4 m120 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -64.74 132.39 95.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -67.43 147.61 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.393 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -147.28 111.95 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -124.63 153.19 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -156.55 124.0 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.52 116.21 4.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -103.15 148.23 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -81.85 109.03 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -101.08 169.09 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -74.34 135.89 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -74.18 165.55 24.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.8 p -57.2 112.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.32 146.97 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m 61.86 42.38 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.0 m -64.21 -42.33 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.56 51.68 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 18' ' ' THR . 12.2 t -52.91 118.94 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.3 pp -72.05 -39.23 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.98 103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.55 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -71.44 150.44 44.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.14 93.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -149.39 160.47 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 124.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -83.33 159.72 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm 61.01 41.08 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.97 152.37 46.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.18 69.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.15 115.96 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.62 -44.1 1.57 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 164.61 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -81.04 132.19 57.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.1 58.11 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.481 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -81.0 13.24 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -86.26 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 103.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -159.32 159.63 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -85.16 150.88 24.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.57 -83.28 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 m -60.48 154.8 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -148.51 169.42 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -115.25 108.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -133.07 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.02 133.37 37.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -68.52 -58.45 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' VAL . 27.0 m -122.81 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.2 m -65.96 -43.37 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 19' ' ' LEU . 14.0 t -134.21 140.95 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.56 68.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -81.49 17.23 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -52.02 154.53 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 -87.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.71 -62.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.48 121.22 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.42 -52.78 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -84.73 127.15 33.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -89.26 16.93 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -102.87 145.74 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -71.5 156.02 91.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.66 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm 54.22 47.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.0 -61.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m -60.72 170.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 4.0 m-20 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp -74.47 131.58 79.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 131.01 20.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -93.35 -49.92 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -154.44 171.79 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 55.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -123.09 141.28 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -68.45 173.26 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.73 76.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 p -149.44 161.42 42.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -74.01 154.21 39.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -157.59 128.61 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -139.67 124.35 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -86.55 139.5 30.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.2 m -86.52 141.48 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.6 111.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 p -69.07 128.88 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -93.21 132.4 37.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.63 134.95 13.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.456 ' C ' HD13 ' A' ' 19' ' ' LEU . 11.0 t -88.89 163.95 15.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -116.25 132.95 56.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.78 53.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -127.77 135.17 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 23' ' ' ASP . . . 135.3 63.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . 0.502 ' CG ' ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER 51.61 39.93 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -110.48 132.71 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.39 12.89 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -45.03 -48.26 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -78.06 154.8 80.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.09 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 29' ' ' ILE . 11.7 mt 52.01 44.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 54.25 30.22 47.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -82.6 179.4 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 37' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm -101.08 133.79 20.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 145.02 56.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -93.54 13.34 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.2 143.42 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.2 -102.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -112.04 146.2 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -142.1 160.93 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -125.78 1.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -113.01 128.47 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -58.77 131.07 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 p -146.08 106.59 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -154.02 132.52 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.93 152.88 22.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.0 t -154.64 150.51 27.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 13' ' ' THR . 25.1 m 46.15 31.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.3 m -68.48 -63.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 t -150.54 118.23 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' THR . . . 35.09 40.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 16' ' ' THR . 41.1 p -113.61 108.45 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -122.23 116.61 24.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.87 76.15 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -80.38 13.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.13 105.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -82.81 113.01 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 2.3 pptp? -78.49 150.44 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -142.66 148.34 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -49.87 -49.61 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -93.15 151.6 40.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 165.11 32.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.9 -48.34 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -175.75 42.53 0.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -82.21 141.34 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.61 HG21 ' OG ' ' A' ' 53' ' ' SER . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.61 ' OG ' HG21 ' A' ' 36' ' ' VAL . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -78.38 137.46 59.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.34 3.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -64.6 144.64 57.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -94.43 -52.76 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.28 -176.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -128.58 119.08 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -154.71 166.0 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 105.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -105.68 151.63 24.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -144.83 173.49 11.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 m -132.04 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 p -137.52 144.09 41.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.41 137.0 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -87.69 107.33 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -81.16 164.35 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . 0.475 ' CG2' HG22 ' A' ' 18' ' ' THR . 38.3 m -73.97 123.51 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -80.1 -45.72 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 18' ' ' THR . . . -138.99 -122.25 1.99 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 17' ' ' GLY . 12.2 t 47.88 32.02 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 pp -161.08 158.51 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.99 -137.31 13.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 58.4 41.85 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.25 115.71 1.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.49 125.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -78.57 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 1.4 tmmm? -125.91 144.15 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.5 mtm105 -134.64 158.04 75.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.1 -48.11 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.09 55.64 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -139.59 176.03 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.538 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.643 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 19.9 ttpp -85.61 138.41 35.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.486 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -111.1 135.66 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -113.22 159.7 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.05 -44.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -59.85 167.75 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -78.94 135.98 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.18 -153.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -148.28 162.0 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -87.65 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 m -128.41 177.41 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -61.0 171.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.68 130.27 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 m -103.91 139.74 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.52 172.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.9 m -90.71 131.47 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLY . 94.5 m -144.46 143.51 30.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' THR . . . -35.29 -58.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' THR . 14.4 t -93.32 127.92 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.5 mt -100.04 128.45 46.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.77 -43.42 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -84.72 128.79 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.96 148.61 27.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.0 mptp? -80.2 12.86 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -91.8 -45.89 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.75 -47.38 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -55.37 156.58 7.94 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.09 -42.19 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.58 103.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -150.76 176.78 10.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 56' ' ' PRO . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 37' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' N ' HG23 ' A' ' 36' ' ' VAL . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 3.3 m-80 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm -69.13 132.58 90.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' CE3' ' A' ' 32' ' ' TRP . 53.6 Cg_endo -69.77 156.66 62.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -128.22 136.42 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -153.25 143.89 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.92 -149.11 20.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -90.96 117.29 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -40.06 -49.96 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.95 46.53 5.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -68.47 126.74 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -100.91 131.81 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -80.31 152.85 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -94.18 -50.29 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.03 157.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -129.54 128.57 43.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.89 122.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.7 m -117.83 -36.85 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -42.73 -40.48 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 18' ' ' THR . . . -43.92 -84.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 17' ' ' GLY . 14.8 t 42.54 31.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 20' ' ' GLY . 3.1 pp -59.96 -36.09 76.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 19' ' ' LEU . . . 130.08 -156.99 21.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -103.17 122.21 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.77 -112.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.85 173.02 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 137.47 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -91.27 107.25 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -118.08 163.3 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -70.61 141.74 88.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 147.99 63.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.11 105.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.3 -52.78 4.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -54.59 142.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.54 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 18.0 ttpp -87.43 135.08 34.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.15 34.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.559 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm . . . . . 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm . . . . . 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' HG23 ' A' ' 39' ' ' VAL . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m120 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp . . . . . 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp . . . . . 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm . . . . . 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm . . . . . 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p . . . . . 0 C--O 1.231 0.121 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 39' ' ' VAL . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm . . . . . 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' HG22 ' A' ' 36' ' ' VAL . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.411 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 2.2 m120 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm . . . . . 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' A' ' 37' ' ' CYS . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.0 m120 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt . . . . . 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.497 ' CZ3' ' OD1' ' A' ' 41' ' ' ASN . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 36' ' ' VAL . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.497 ' OD1' ' CZ3' ' A' ' 32' ' ' TRP . 1.9 m120 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.428 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt . . . . . 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p . . . . . 0 C--O 1.231 0.131 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' HG23 ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 1.8 m120 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt . . . . . 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp . . . . . 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 37' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.425 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.479 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm . . . . . 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.61 HG21 ' OG ' ' A' ' 53' ' ' SER . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.61 ' OG ' HG21 ' A' ' 36' ' ' VAL . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp . . . . . 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.538 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.643 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 19.9 ttpp . . . . . 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 37' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.491 ' N ' HG23 ' A' ' 36' ' ' VAL . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.9 m120 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm . . . . . 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.54 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 18.0 ttpp . . . . . 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -135.08 136.75 42.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.869 0.366 . . . . 0.0 110.852 -179.711 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.2 t -113.64 164.57 13.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.895 -179.842 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 130.64 40.11 0.25 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.491 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.4 p -164.09 176.09 9.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.889 0.376 . . . . 0.0 110.881 -179.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -95.64 111.23 23.21 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.886 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 68.75 135.02 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.46 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.0 t -61.62 114.35 3.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.896 0.379 . . . . 0.0 110.883 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 4.4 m -126.12 102.45 7.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.835 -179.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 48.4 p -75.89 137.69 40.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.807 -179.802 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 52.1 p -116.45 161.45 19.08 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.838 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 73.2 m -107.03 -37.95 6.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.917 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 25.0 m -61.1 149.38 37.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 91.9 t -81.95 117.45 27.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.112 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 15.3 t -69.24 149.34 48.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.175 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 17.8 p 52.03 40.0 27.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.149 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 167.46 106.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.523 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 24.0 p -107.31 140.82 39.63 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.85 0.357 . . . . 0.0 111.102 -179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.2 pp -121.85 176.47 5.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -136.13 147.23 19.11 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.483 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.5 t80 59.82 42.24 16.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.895 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -42.6 -39.48 3.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.486 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -125.1 171.96 9.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.906 0.384 . . . . 0.0 110.89 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.5 mptp? -88.65 159.36 17.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.893 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 41.0 m-85 -135.68 114.6 12.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 35.7 mtpt -66.43 114.13 5.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.928 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 143.95 49.01 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.608 0.718 . . . . 0.0 110.861 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.69 163.59 37.63 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.679 2.252 . . . . 0.0 112.379 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 67.6 mt -74.73 -60.8 2.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.14 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -59.34 -71.25 0.8 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.471 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.7 m -59.29 178.0 0.16 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.878 0.37 . . . . 0.0 110.846 -179.722 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 10.5 p-90 -136.2 135.21 38.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.911 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.441 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 11.1 tm-20 -87.52 115.87 25.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 4.2 t -52.06 169.72 0.07 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.924 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.2 t -117.86 -37.53 3.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.424 HG22 ' SG ' ' A' ' 34' ' ' CYS . 17.3 m -71.22 -41.58 74.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.136 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.559 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.6 p -116.49 -21.29 9.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 66.1 m 61.97 44.69 8.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.905 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.559 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.2 t -109.13 146.76 14.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.14 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.1 m -57.15 141.22 46.99 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.895 -179.848 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -137.29 175.53 9.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.877 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 85.6 m-20 -104.5 124.13 48.73 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.887 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.86 -51.45 3.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.121 179.872 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.457 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 10.9 pt-20 -60.3 -40.47 90.6 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.886 -179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.457 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 5.9 m-20 -60.89 115.61 3.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.866 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.7 t-20 -83.23 17.05 2.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 22.8 mttm -155.29 168.04 28.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.93 179.885 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.0 t -89.0 172.51 9.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.897 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 21.1 m -116.84 -28.62 2.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.142 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.7 t -82.43 -40.92 20.52 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.5 p -115.31 -17.19 11.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.903 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.4 mmt 62.93 46.64 4.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.898 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 52.5 p -101.78 140.76 35.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 -179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -55.0 133.57 48.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.873 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 58.6 tttm -65.68 135.13 95.51 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.931 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 135.05 29.44 Favored 'Trans proline' 0 N--CA 1.466 -0.131 0 C-N-CA 122.708 2.272 . . . . 0.0 112.329 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.103 -0.832 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.356 0 N-CA-C 112.541 -0.224 . . . . 0.0 112.541 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.6 t 52.55 42.22 31.33 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.868 0.366 . . . . 0.0 110.885 -179.752 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.2 t -143.51 102.37 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.908 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.62 -173.07 23.02 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.4 t -111.3 133.23 53.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.845 0.355 . . . . 0.0 110.922 -179.786 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.0 m -112.31 154.22 26.0 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.848 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -70.75 -59.56 5.11 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.458 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.0 t -143.87 117.31 9.1 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.834 -179.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 19.6 m -137.45 167.76 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.5 p -56.17 159.92 3.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.859 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 85.3 p -119.09 112.52 19.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 20.1 p -162.31 164.3 27.56 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 90.9 m -138.5 139.11 38.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.171 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.519 ' O ' HG13 ' A' ' 14' ' ' VAL . 14.6 p -70.84 120.91 19.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.119 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.3 p -87.65 125.93 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.114 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 91.2 m -152.49 135.8 15.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.157 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 178.76 69.11 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 71.5 p -128.93 102.48 6.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 0.0 111.196 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 38.2 mt -96.98 115.3 27.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.911 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -58.95 -150.95 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.504 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.416 ' CG ' ' N ' ' A' ' 22' ' ' GLY . 20.0 p90 -97.85 -55.99 2.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.887 0.375 . . . . 0.0 110.875 -179.855 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.416 ' N ' ' CG ' ' A' ' 21' ' ' PHE . . . -153.48 60.18 0.39 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.457 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -79.64 113.28 17.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.865 0.364 . . . . 0.0 110.909 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 28.4 ttpt -109.16 146.96 33.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.4 t80 -63.32 161.95 13.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.909 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 tptp -110.81 110.47 21.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.898 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 14.9 ptm180 -138.53 152.41 70.97 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.628 0.728 . . . . 0.0 110.878 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.32 14.4 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.701 2.268 . . . . 0.0 112.351 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.9 mm -79.18 146.61 7.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.114 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 80.46 -50.24 3.99 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 35.2 p -57.98 142.65 45.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.824 0.345 . . . . 0.0 110.869 -179.743 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 11.6 p-90 -97.22 149.07 22.44 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.956 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 2.7 tp10 -96.5 120.23 36.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.911 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -62.74 171.75 1.95 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 71.4 m -117.4 -37.84 3.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.42 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 18.0 m -73.25 -40.51 57.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.172 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.452 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.6 p -117.69 -18.51 9.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.876 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 87.4 m 58.34 44.72 18.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.909 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.452 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.5 t -110.68 149.24 13.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.161 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 94.9 p -70.72 151.49 44.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 32.6 m-80 -155.15 163.66 39.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.863 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 31.4 m-80 -68.63 131.95 46.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.896 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.35 -53.89 25.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.136 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -49.78 -45.21 49.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 6.3 m-20 -55.38 114.57 1.87 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 20.0 p30 -81.65 16.02 1.92 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.946 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -157.61 157.89 34.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.908 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.93 169.46 13.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 32.1 m -117.96 -31.89 1.76 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.145 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.3 t -79.18 -42.77 25.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.879 -179.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.42 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 14.8 p -111.35 -19.98 12.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 46.0 mtp 60.94 47.95 7.08 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.878 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 8.0 t -103.65 149.82 24.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -54.21 128.37 30.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 40.5 tttm -68.88 134.55 89.96 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.577 0.703 . . . . 0.0 110.907 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -177.41 1.85 Allowed 'Trans proline' 0 C--N 1.341 0.136 0 C-N-CA 122.72 2.28 . . . . 0.0 112.302 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 CA-C-O 119.109 -0.828 . . . . 0.0 112.485 179.961 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.36 0 N-CA-C 112.501 -0.239 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.1 t -61.11 -60.44 3.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.892 0.377 . . . . 0.0 110.867 -179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.1 p -116.13 131.62 56.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.862 -179.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.94 86.94 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.467 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.3 m -153.54 143.25 21.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.877 0.37 . . . . 0.0 110.862 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.6 t -152.07 151.37 31.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.887 -179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -169.37 170.01 42.33 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.9 t -82.99 142.35 31.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.87 -179.76 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 3.7 m -125.48 143.31 51.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.7 t -61.78 148.23 43.73 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.885 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 28.0 m -142.51 127.07 17.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.842 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 98.7 m -103.94 160.08 15.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.869 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 76.7 p -63.27 -53.05 58.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.137 -179.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 14.0 p -153.41 136.36 7.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.129 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.9 t -106.25 142.02 36.63 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.129 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 82.4 p -52.99 113.92 1.27 Allowed 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 118.5 177.04 16.84 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.437 HG23 ' N ' ' A' ' 19' ' ' LEU . 8.9 t -90.93 -42.0 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.861 0.362 . . . . 0.0 111.188 -179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.483 ' CD1' ' HB2' ' A' ' 21' ' ' PHE . 1.6 pp -51.95 173.42 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.929 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -112.78 59.61 0.37 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.448 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.483 ' HB2' ' CD1' ' A' ' 19' ' ' LEU . 21.1 t80 -61.91 148.55 43.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.903 0.382 . . . . 0.0 110.871 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.498 ' O ' ' CD1' ' A' ' 25' ' ' PHE . . . 127.32 -43.26 1.36 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.52 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -74.26 -41.63 60.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.854 0.359 . . . . 0.0 110.879 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 5.8 mmmt -77.59 8.78 3.94 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.541 ' CG ' ' O ' ' A' ' 25' ' ' PHE . 2.2 p90 -61.65 114.03 3.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.895 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -96.64 -57.15 2.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.907 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.4 mtp180 -164.44 159.25 15.83 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.654 0.74 . . . . 0.0 110.854 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 158.39 57.15 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.663 2.242 . . . . 0.0 112.33 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 4.9 mp -95.01 -42.44 12.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.152 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -163.03 42.82 0.34 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.473 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 15.3 m -66.54 178.03 1.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.849 0.357 . . . . 0.0 110.855 -179.72 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.511 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 46.0 p-90 -137.69 120.57 16.46 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.907 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -65.89 113.46 4.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.7 t -57.25 161.71 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.9 m -104.76 -35.52 7.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.872 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 21.6 t -69.72 -62.04 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.139 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.427 ' SG ' HG23 ' A' ' 39' ' ' VAL . 29.3 p -104.85 -24.56 12.86 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.881 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 57.9 m 66.77 47.35 1.54 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.884 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.436 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 99.0 t -110.87 146.35 16.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.131 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.3 m -52.01 137.78 26.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.436 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.1 m120 -136.94 175.86 9.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.903 -179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -89.18 120.85 30.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.01 -44.84 2.48 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.104 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.466 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.4 pt-20 -67.52 -38.7 84.63 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.883 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.466 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.1 m-20 -58.09 114.33 2.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.895 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -80.14 12.47 2.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.4 mtmm -152.06 170.45 19.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.91 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -91.12 171.05 9.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.823 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.68 -36.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.148 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 36.4 t -69.58 -42.34 74.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.864 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 32.1 p -112.89 -21.43 11.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 8.6 mmt 63.96 44.16 4.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.871 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 21.8 m -104.53 155.46 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.852 -179.761 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -57.9 143.56 42.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.511 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 33.2 tttp -84.88 134.45 41.53 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.545 0.688 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 144.46 54.13 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.668 2.245 . . . . 0.0 112.326 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.166 -0.797 . . . . 0.0 112.477 179.97 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.6 m 54.94 42.15 31.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.906 0.384 . . . . 0.0 110.917 -179.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.414 ' O ' ' C ' ' A' ' 4' ' ' GLY . 28.4 p -44.2 -53.62 6.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.837 -179.78 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.414 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 35.94 -142.75 0.13 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.474 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.8 m -106.22 142.91 35.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.882 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.8 t -110.81 162.47 14.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -138.94 -78.27 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.464 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 49.0 m -95.56 165.57 12.27 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.841 0.353 . . . . 0.0 110.829 -179.679 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.5 m -60.87 -59.95 4.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 19.5 m -157.31 168.24 27.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.843 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . 0.544 ' HB2' HG11 ' A' ' 14' ' ' VAL . 53.3 p -119.28 134.89 54.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.894 -179.843 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.0 m -133.18 150.18 52.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.896 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 2.7 p 52.04 41.46 29.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.134 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.544 HG11 ' HB2' ' A' ' 11' ' ' SER . 31.5 m -92.32 -41.99 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.122 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.431 ' N ' HG23 ' A' ' 14' ' ' VAL . 39.0 p -122.21 133.36 54.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.146 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 38.6 m -57.01 -54.68 43.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.154 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.29 -136.02 13.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.494 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 15.3 t -148.24 151.63 35.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.855 0.36 . . . . 0.0 111.135 -179.87 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 2.9 pp -147.75 141.53 25.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 107.56 48.66 0.9 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.455 179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -79.44 147.29 32.35 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.887 0.375 . . . . 0.0 110.838 -179.848 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 148.14 -165.57 28.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.446 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 9.9 t0 58.25 41.25 23.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.873 0.368 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 66.7 mmtt -87.65 -49.51 7.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.882 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -43.47 -51.47 6.63 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.86 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -53.29 -45.04 68.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -84.66 158.12 60.14 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.595 0.712 . . . . 0.0 110.884 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 154.36 67.6 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.685 2.256 . . . . 0.0 112.325 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.413 HD12 ' N ' ' A' ' 29' ' ' ILE . 4.9 mp -97.78 -62.77 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.124 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.438 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -116.25 46.79 1.11 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.5 179.919 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 68.0 p -78.77 141.45 37.8 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.811 0.339 . . . . 0.0 110.87 -179.762 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.537 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 69.0 p-90 -117.83 124.29 48.01 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.949 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.9 tt0 -72.14 141.82 49.13 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.879 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 16.1 t -83.58 164.03 20.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.893 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 3.4 m -109.27 -27.62 9.43 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.882 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 5.3 t -79.43 -57.98 4.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.111 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 29.6 p -106.37 -17.36 14.3 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 68.7 m 62.63 41.44 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.488 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 88.8 t -111.58 136.45 47.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.103 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -55.6 153.87 7.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 -179.845 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.488 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 61.6 m-80 -151.65 177.21 10.59 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.892 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -75.58 126.4 30.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.919 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.438 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -49.72 -50.74 42.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.071 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 7.5 mm-40 -53.35 -42.14 66.52 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.903 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -65.36 116.91 7.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.5 m-80 -82.29 15.45 2.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 17.1 mtmm -148.66 164.37 34.51 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.936 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -85.35 167.35 15.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.5 m -117.18 -28.32 2.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.114 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.1 t -74.61 -38.98 62.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.859 -179.836 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.4 p -117.98 -20.6 8.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 18.3 mmm 66.32 47.97 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 11.4 p -105.03 163.9 12.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -75.19 133.38 41.44 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.856 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.537 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 20.1 ttpp -81.57 139.06 47.48 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.901 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 157.49 60.19 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.69 2.26 . . . . 0.0 112.344 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.273 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.487 179.965 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.3 p -116.07 147.87 40.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.888 0.375 . . . . 0.0 110.832 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 92.8 p -137.49 164.04 29.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.863 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 166.01 70.2 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.474 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.6 p -96.66 121.24 38.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.956 0.408 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.9 p -139.96 161.82 36.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.19 -90.79 0.75 Allowed Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.489 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -61.77 139.48 58.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.901 0.382 . . . . 0.0 110.861 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.5 p -146.77 131.92 18.35 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.5 t -74.44 -60.58 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 3.6 t -82.45 162.87 21.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.864 -179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 80.5 m -56.04 143.84 31.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 82.0 p -71.63 -44.62 64.04 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.116 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -57.35 155.16 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.136 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 44.4 p -87.71 155.56 19.87 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.083 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 p -107.25 122.48 46.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.128 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 164.13 100.43 0.15 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.488 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.7 p -77.29 -42.22 37.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.853 0.358 . . . . 0.0 111.169 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 81.9 mt -98.36 155.87 17.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.926 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.417 ' O ' ' C ' ' A' ' 21' ' ' PHE . . . -123.83 107.42 1.06 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.484 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 20' ' ' GLY . 26.3 p90 -36.88 -47.27 0.68 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.903 0.383 . . . . 0.0 110.862 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -48.2 133.22 19.18 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.48 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -65.58 -49.06 70.21 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.877 0.37 . . . . 0.0 110.846 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -124.33 140.58 52.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.843 -179.956 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -145.27 103.76 3.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt 52.19 40.88 29.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.873 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.444 ' HB3' ' NH1' ' A' ' 27' ' ' ARG . 15.9 mtp-105 -150.84 155.31 35.44 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 110.869 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 149.44 66.9 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.64 2.226 . . . . 0.0 112.304 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 1.2 pp -116.54 178.13 1.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 49.08 26.56 6.25 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.492 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.8 m -119.64 146.48 45.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.88 0.372 . . . . 0.0 110.836 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.496 ' CG ' ' HE2' ' A' ' 55' ' ' LYS . 42.0 p-90 -127.19 121.25 30.76 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.936 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.7 tt0 -71.49 149.68 45.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.898 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -88.02 172.91 9.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 44.5 t -118.01 -34.89 4.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.887 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -77.32 -38.68 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 18.1 p -117.43 -16.8 10.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.858 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.0 m 59.72 47.42 10.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.845 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.6 t -116.9 142.03 32.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.144 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 34.3 t -68.95 147.75 51.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.839 -179.835 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 50.6 m-80 -147.98 173.5 12.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -88.53 135.14 33.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.935 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -51.71 -50.28 60.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.119 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 32.2 mt-10 -47.32 -45.87 24.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.852 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -62.96 116.38 5.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.846 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 2.7 p-10 -79.91 8.69 6.42 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.953 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.0 mtmm -150.54 160.81 43.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.941 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 6.0 t -74.36 170.55 15.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.862 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.7 m -116.82 -25.6 3.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.174 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 10.5 t -85.33 -40.6 16.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.853 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 24.3 p -115.08 -19.5 10.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.87 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 37.2 mmm 62.76 48.02 4.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.836 179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 62.0 p -103.64 151.12 23.33 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -56.0 143.5 32.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.947 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.496 ' HE2' ' CG ' ' A' ' 32' ' ' TRP . 39.7 tttm -87.85 137.29 31.77 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.603 0.716 . . . . 0.0 110.869 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 163.34 38.64 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.717 2.278 . . . . 0.0 112.321 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.143 -0.81 . . . . 0.0 112.482 179.956 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.524 -0.231 . . . . 0.0 112.524 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.5 m -162.3 163.18 28.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.902 0.382 . . . . 0.0 110.837 -179.731 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -165.61 157.97 15.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.847 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 158.67 -176.82 35.51 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.503 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 98.8 p -142.65 149.84 39.45 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.912 0.387 . . . . 0.0 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -132.14 149.03 52.5 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.88 -179.82 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.66 58.02 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.497 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 24.4 p -103.41 17.18 24.66 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.747 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 5.9 t -63.38 121.11 12.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.875 -179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 99.6 p -148.16 164.61 33.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.851 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 70.3 m -110.95 106.22 15.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.852 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.8 t -137.9 150.54 47.18 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 19.8 m -61.73 148.6 42.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.148 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 3.3 p -96.22 131.38 43.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.123 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 23.7 m -114.3 123.44 49.52 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.151 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 77.6 p -63.63 150.48 44.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.156 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -162.3 -110.65 0.25 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.454 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 67.6 p -90.55 127.42 36.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 0.0 111.11 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 3.2 pp -69.39 143.03 53.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 79.09 -135.1 14.8 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.513 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.0 t80 -128.57 135.14 48.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.87 0.366 . . . . 0.0 110.882 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 149.06 98.73 0.2 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.693 -0.765 . . . . 0.0 112.456 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.6 p30 -147.3 140.71 25.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.872 0.367 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.3 tttp -101.58 120.68 40.69 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -45.08 -61.73 1.52 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.872 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.67 135.48 52.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.939 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 24.8 ptt180 -64.44 152.05 89.98 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.629 0.728 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 127.18 14.2 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.664 2.243 . . . . 0.0 112.362 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 78.4 mt -80.41 -41.4 20.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.148 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -60.67 -38.42 95.06 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.514 179.898 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 32.5 m -58.56 179.12 0.09 Allowed 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.876 0.369 . . . . 0.0 110.882 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 42.9 p-90 -129.52 125.65 36.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.918 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 11.5 tp10 -76.69 132.77 39.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -68.99 174.11 4.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.888 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 62.5 p -116.93 -34.92 4.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -79.03 -37.46 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.109 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.72 -16.92 10.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 14.9 t 60.2 47.97 8.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.851 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 88.5 t -120.92 145.38 27.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.156 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.4 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 57.2 m -69.88 158.25 35.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.797 -179.804 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.4 ' OD1' ' O ' ' A' ' 40' ' ' SER . 53.5 m-80 -159.25 161.07 35.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.922 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.411 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 73.9 m-20 -54.15 134.46 44.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.877 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -57.99 -43.81 86.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.147 179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.462 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 4.1 pt-20 -67.16 -33.78 76.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.922 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.462 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 8.8 m-20 -59.39 119.02 6.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 7.4 p-10 -86.28 14.58 6.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.918 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -152.55 170.22 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.922 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.1 t -88.57 170.52 10.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.871 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 22.6 m -118.02 -30.98 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.1 t -79.99 -43.23 22.38 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.5 p -113.76 -18.58 11.81 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.84 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 63.3 mtm 62.24 38.82 13.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 40.9 t -92.78 146.41 23.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -52.03 146.83 8.06 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.841 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 29.3 tttm -91.63 135.16 28.07 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 178.93 4.06 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.711 2.274 . . . . 0.0 112.321 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.365 0 CA-C-O 119.183 -0.787 . . . . 0.0 112.515 179.947 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 91.1 p -154.91 117.05 4.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 0.0 110.821 -179.745 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 12.4 t -129.46 129.74 45.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.848 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.16 56.68 0.19 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.493 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.4 t -73.43 113.97 11.13 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.858 0.361 . . . . 0.0 110.863 -179.749 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -132.16 119.7 21.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.83 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 132.66 91.04 0.48 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.491 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -58.92 128.66 38.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.913 0.387 . . . . 0.0 110.835 -179.734 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 77.1 p -129.1 113.03 14.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 4.4 t -76.41 121.44 23.06 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.85 -179.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 95.6 p -155.18 159.77 40.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.4 m -77.46 116.59 18.17 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 75.7 p -65.03 110.87 2.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.157 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.2 p -103.03 133.79 45.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.157 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 74.4 m -111.53 110.43 20.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.149 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 10.2 t -110.8 146.27 36.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.106 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -153.41 -64.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.516 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 9.9 t -67.97 -38.7 83.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.825 0.345 . . . . 0.0 111.118 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 6.6 mt -138.25 125.15 21.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.902 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -77.99 -131.58 0.61 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.505 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -44.72 -43.89 8.78 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.877 0.37 . . . . 0.0 110.855 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 132.48 -66.83 0.57 Allowed Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.498 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 12.1 m-20 -63.56 116.74 5.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.934 0.397 . . . . 0.0 110.85 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' HG3' ' N ' ' A' ' 25' ' ' PHE . 10.4 pttm -56.32 -37.21 69.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.912 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . 0.421 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 9.1 p90 -107.07 131.14 54.43 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -109.45 105.72 15.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.949 179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.5 mtp180 -58.89 152.52 48.78 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.668 0.747 . . . . 0.0 110.832 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 5.02 1.88 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.636 2.224 . . . . 0.0 112.333 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mt 60.91 48.03 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.188 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.656 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 94.25 79.45 1.45 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.7 p -72.25 166.85 21.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.883 0.373 . . . . 0.0 110.858 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.508 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 67.4 p-90 -139.79 115.24 9.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.891 -179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.456 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.4 OUTLIER -63.96 137.75 58.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.859 -179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 52.8 t -82.68 160.96 22.29 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.891 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 40.4 t -103.36 -31.5 10.0 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.845 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 18.7 t -73.29 -61.12 1.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.167 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' SG ' HG23 ' A' ' 39' ' ' VAL . 30.7 p -106.4 -24.57 12.2 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.877 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 34.8 t 67.25 47.58 1.29 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.48 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 95.3 t -109.24 144.01 18.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.108 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -51.99 137.98 25.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.508 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -135.1 172.34 13.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.874 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -99.05 119.15 37.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.656 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -38.56 -35.41 0.18 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.4 ' H ' ' CD ' ' A' ' 44' ' ' GLU . 14.2 mp0 -63.07 -48.35 79.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.882 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -61.32 120.28 10.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.86 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 32.3 p-10 -81.62 15.45 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 41.2 mttt -159.42 173.9 15.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -84.83 166.79 16.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.857 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.3 m -116.89 -28.01 2.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.169 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 4.8 t -79.24 -41.09 29.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.809 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 29.0 p -115.93 -18.62 10.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.877 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 6.7 mmm 64.56 46.95 3.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.858 179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 44.4 p -97.38 164.7 12.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.838 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 78.8 mt-10 -70.74 137.46 49.69 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 53.3 tttm -85.63 134.77 39.22 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.569 0.699 . . . . 0.0 110.945 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 141.25 44.76 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.679 2.253 . . . . 0.0 112.334 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.479 -179.999 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.436 ' O ' ' C ' ' A' ' 2' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 1' ' ' GLY . 17.4 m -35.47 -60.87 0.48 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.884 0.373 . . . . 0.0 110.854 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 m 55.67 42.2 29.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.834 -179.828 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.01 121.57 2.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.466 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 79.2 p -95.04 154.68 17.06 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.866 0.365 . . . . 0.0 110.873 -179.736 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 67.5 m -95.28 158.23 15.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.842 -179.797 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.52 87.57 0.29 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.502 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -141.48 128.45 20.68 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 0.0 110.86 -179.768 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 50.9 m -88.57 -47.09 8.56 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.848 -179.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 53.5 p -88.72 118.7 28.58 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.3 m -87.73 -51.44 5.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.8 p -73.7 151.4 40.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.872 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 7.0 t -73.06 -32.35 64.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.165 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.589 HG12 ' H ' ' A' ' 16' ' ' THR . 93.3 t -56.25 146.94 5.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.13 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 33.8 p -62.6 -41.95 99.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.092 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.589 ' H ' HG12 ' A' ' 14' ' ' VAL . 23.6 m -56.1 139.08 48.34 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.136 -179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.83 -72.75 0.44 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.544 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 78.3 p -91.18 156.66 17.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.813 0.339 . . . . 0.0 111.13 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 44.8 mt -94.85 139.5 31.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -155.47 78.87 0.19 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.46 179.928 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 89.9 m-85 -130.88 115.0 15.97 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.888 0.375 . . . . 0.0 110.871 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.79 -144.04 15.95 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -143.83 129.17 18.89 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.913 0.387 . . . . 0.0 110.881 -179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.4 mmmm -124.41 126.29 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.926 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 23.9 t80 -110.24 162.14 14.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.866 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -40.7 -50.03 3.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 21.2 ptt85 -60.09 143.88 87.7 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.644 0.735 . . . . 0.0 110.855 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 164.28 35.18 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.68 2.254 . . . . 0.0 112.365 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.452 ' O ' ' C ' ' A' ' 30' ' ' GLY . 46.1 mm -88.68 117.15 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.158 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 29' ' ' ILE . . . 34.33 40.82 0.19 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.53 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 1.7 m -129.78 152.48 49.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.383 . . . . 0.0 110.862 -179.756 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.531 ' CE2' ' HB2' ' A' ' 41' ' ' ASN . 45.7 p-90 -120.97 118.84 30.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.954 179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.6 tp10 -68.99 136.51 52.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.879 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.411 ' SG ' HG22 ' A' ' 36' ' ' VAL . 3.2 t -72.63 172.75 10.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.874 -179.909 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 28.2 p -117.92 -33.03 4.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.845 -179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.411 HG22 ' SG ' ' A' ' 34' ' ' CYS . 19.3 m -78.12 -42.06 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.103 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.405 ' N ' HG23 ' A' ' 36' ' ' VAL . 20.5 p -114.08 -17.89 11.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 91.2 m 60.48 46.11 10.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.1 t -115.05 145.9 20.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.117 -179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 77.8 p -58.89 140.44 55.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.807 -179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.531 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 2.2 m120 -132.91 171.47 13.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 -179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.425 ' HB2' ' CG ' ' A' ' 45' ' ' ASP . 87.1 m-20 -97.36 138.0 35.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.888 179.972 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -50.51 -59.82 3.64 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.096 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.79 -39.55 53.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.913 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.425 ' CG ' ' HB2' ' A' ' 42' ' ' ASN . 4.8 m-20 -61.54 111.89 1.99 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.905 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 6.9 p-10 -71.63 -17.5 62.26 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.897 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 71.9 mttt -129.32 174.22 9.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.92 179.887 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 3.5 t -77.25 175.37 9.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.854 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 25.5 m -117.95 -34.14 1.73 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 179.884 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.9 t -79.76 -44.02 21.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.838 -179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 21.1 p -109.8 -17.15 13.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 36.5 mtt 58.53 47.93 12.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.9 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.2 t -99.84 177.92 4.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -75.53 138.6 41.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.437 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 40.2 tttm -84.63 134.09 42.88 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.575 0.702 . . . . 0.0 110.919 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 123.47 10.13 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.641 2.228 . . . . 0.0 112.404 179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.116 -0.825 . . . . 0.0 112.444 -179.996 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 74.4 p -144.92 172.95 12.32 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.868 0.366 . . . . 0.0 110.857 -179.736 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 50.4 m -105.39 173.39 6.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.859 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.82 155.22 26.41 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.514 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 72.7 p -105.19 173.52 6.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.877 0.37 . . . . 0.0 110.89 -179.779 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.6 p -71.55 128.92 37.4 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 150.3 138.35 2.87 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.522 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 88.5 p -63.82 140.85 58.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.847 0.356 . . . . 0.0 110.904 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 23.2 t -58.55 107.33 0.49 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.837 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.8 m -113.87 128.27 56.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.855 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 49.2 m -55.83 166.47 0.72 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.864 -179.792 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 6.6 m -157.87 124.71 4.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 81.1 p -112.64 106.45 14.86 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.15 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.5 t -97.32 113.69 32.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.132 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 14.7 t -92.11 150.29 21.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.087 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.494 HG23 ' O ' ' A' ' 16' ' ' THR . 14.9 t -148.31 123.04 9.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.138 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.73 118.19 3.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.51 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.705 ' C ' HD13 ' A' ' 19' ' ' LEU . 12.8 t -147.28 171.31 15.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.816 0.341 . . . . 0.0 111.155 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.705 HD13 ' C ' ' A' ' 18' ' ' THR . 0.0 OUTLIER -164.84 174.74 10.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.933 179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 142.53 54.22 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.441 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 42.4 m-85 -74.14 -58.41 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.89 0.376 . . . . 0.0 110.829 -179.832 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -157.48 91.17 0.12 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.49 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.7 t0 -78.66 142.45 37.17 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.884 0.374 . . . . 0.0 110.889 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 63.6 mttm -73.75 126.15 29.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.944 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 49.1 m-85 -77.09 -42.32 38.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.854 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -55.27 160.88 2.04 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 3.8 ptp180 -134.32 152.48 78.18 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.619 0.724 . . . . 0.0 110.873 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 162.88 40.35 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.667 2.245 . . . . 0.0 112.342 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 59.8 mt -70.13 -63.57 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.116 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -144.61 67.36 0.43 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.491 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 24.9 p -67.2 166.72 13.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.847 0.356 . . . . 0.0 110.868 -179.725 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 23.5 p-90 -130.01 123.41 30.48 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 30.6 tt0 -77.95 135.73 37.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.882 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.9 t -74.2 171.23 13.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 34.9 t -117.21 -37.96 3.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.48 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 29.6 m -72.64 -44.23 60.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.508 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.0 p -114.88 -15.42 11.84 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.875 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 2.9 m 55.7 47.57 20.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.508 HG23 ' SG ' ' A' ' 37' ' ' CYS . 76.7 t -110.86 136.95 45.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.095 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -66.33 151.21 47.56 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.842 -179.869 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 58.1 m-20 -152.15 177.84 10.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 35.6 m-80 -86.35 129.74 34.75 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -43.67 -42.01 5.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.1 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -58.31 -43.83 88.29 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 -64.7 102.2 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -66.23 -18.99 65.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.851 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 5.7 mtmp? -119.5 168.89 10.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.3 t -83.0 173.75 11.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.825 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 24.4 m -117.85 -31.62 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.136 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 46.5 t -81.24 -43.59 19.0 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.875 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.48 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 20.5 p -110.53 -17.97 13.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.914 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 28.5 mtt 60.23 46.25 10.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.86 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 85.4 p -95.87 178.19 5.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -88.91 138.64 31.22 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.846 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 35.0 tttm -75.1 132.1 77.42 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.617 0.723 . . . . 0.0 110.876 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 130.23 18.94 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.343 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.105 -0.83 . . . . 0.0 112.481 179.978 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.287 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.9 t -59.57 138.97 57.54 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.87 0.367 . . . . 0.0 110.897 -179.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 t -166.73 154.14 9.39 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 -179.83 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -47.59 -55.12 9.75 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.476 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 83.3 p 52.26 37.17 21.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t -157.03 148.41 22.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.87 -179.798 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -166.32 -143.26 3.69 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -131.15 131.48 44.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.908 0.385 . . . . 0.0 110.852 -179.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 40.7 t -166.07 153.62 10.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 3.4 m -53.93 -61.34 2.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.842 -179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 62.8 p -164.24 159.34 19.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.853 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 23.8 m -93.9 120.94 34.83 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.897 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 20.5 p -130.9 142.67 50.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.163 -179.875 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG22 ' OG1' ' A' ' 16' ' ' THR . 6.0 p -62.29 -45.53 98.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.568 ' O ' HG22 ' A' ' 15' ' ' THR . 24.0 m 67.19 44.14 1.94 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.128 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.498 ' OG1' HG22 ' A' ' 14' ' ' VAL . 26.2 m -128.63 132.53 48.12 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -94.96 -137.25 8.87 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.452 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.5 p -107.76 16.99 23.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.796 0.332 . . . . 0.0 111.111 -179.837 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.7 mt -56.8 -44.18 81.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.91 153.73 25.38 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.501 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 7.1 p90 -43.48 -44.13 5.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.874 0.368 . . . . 0.0 110.853 -179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 172.21 164.91 28.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.465 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 29.5 t0 -80.7 171.11 15.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.855 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 24.4 mttm -76.34 -46.79 25.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.91 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -132.65 123.05 25.63 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.5 mmtp -49.47 -49.34 45.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.912 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 29.6 ptt-85 -102.64 153.14 38.39 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.662 0.744 . . . . 0.0 110.877 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 154.59 67.58 Favored 'Trans proline' 0 C--N 1.342 0.229 0 C-N-CA 122.667 2.245 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 36.6 mm -69.46 -60.17 2.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.184 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -156.96 37.97 0.56 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.489 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 13.8 m -85.03 175.82 8.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.874 0.368 . . . . 0.0 110.879 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.42 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 48.7 p-90 -130.37 117.19 19.36 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.955 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.9 tt0 -62.46 127.93 33.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.883 -179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 37.5 t -71.99 164.11 26.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 36.8 m -107.8 -31.73 7.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.843 -179.846 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.4 t -73.25 -59.4 3.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.097 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 30.5 p -105.06 -24.28 12.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 6.8 t 67.99 47.44 1.08 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.895 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.46 ' O ' ' ND2' ' A' ' 41' ' ' ASN . 97.5 t -113.75 140.35 34.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.126 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 47.4 p -52.05 133.59 32.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.855 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.46 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 2.0 m120 -128.53 161.0 30.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.898 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 3.7 m-80 -74.96 124.08 26.29 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.9 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.33 -51.37 3.67 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.056 179.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 27.9 mm-40 -56.62 -43.51 80.27 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -61.41 120.62 10.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.879 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.431 ' O ' ' CB ' ' A' ' 55' ' ' LYS . 2.5 t30 -82.72 -16.37 48.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.892 -179.894 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 36.4 mtmt -120.45 170.72 9.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.888 179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.12 172.57 9.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 31.5 m -117.35 -36.53 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.111 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 40.7 t -72.31 -44.53 62.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.853 -179.853 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 27.8 p -112.39 -19.68 12.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.9 mtt 64.66 46.18 3.24 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 90.3 p -96.76 174.7 6.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.835 -179.799 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -85.06 134.17 34.21 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.912 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.431 ' CB ' ' O ' ' A' ' 46' ' ' ASN . 34.9 tttt -69.73 133.1 88.65 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-O 121.542 0.686 . . . . 0.0 110.907 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 157.0 61.97 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.654 2.236 . . . . 0.0 112.349 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 CA-C-O 119.114 -0.826 . . . . 0.0 112.515 179.952 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 58.3 m -89.88 106.23 18.33 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.925 0.393 . . . . 0.0 110.841 -179.691 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 29.1 t -136.86 140.11 42.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.899 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -84.38 95.09 1.9 Allowed Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.534 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.2 p -81.78 15.21 2.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.916 0.389 . . . . 0.0 110.884 -179.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 12.6 t -154.68 164.26 39.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.872 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -44.16 -94.54 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.514 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 m -166.03 174.94 8.91 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.87 0.367 . . . . 0.0 110.859 -179.724 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -128.89 125.79 38.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 74.6 m -91.52 -47.92 7.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.886 -179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 4.8 t 61.18 42.16 12.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.912 -179.831 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 26.4 p -105.75 -37.57 6.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.861 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 80.7 p -61.48 135.25 57.6 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.133 -179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.5 t -92.75 121.28 43.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.114 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.9 t -90.64 125.29 35.6 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.121 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 71.4 p -114.32 164.47 13.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.178 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -121.46 -116.16 2.42 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.515 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.405 ' O ' HG23 ' A' ' 18' ' ' THR . 13.5 t -115.84 128.94 56.2 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.79 0.329 . . . . 0.0 111.124 -179.862 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 12.5 mt -54.08 -42.97 69.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.94 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -127.17 104.46 0.7 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.482 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -57.85 -49.01 78.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 105.77 -80.84 0.29 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.531 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -67.41 145.77 54.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.864 0.364 . . . . 0.0 110.881 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.54 153.86 40.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.925 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 34.2 p90 -62.88 -46.03 89.75 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.916 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.4 ptmt -65.93 135.22 54.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.884 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 5.2 ptp180 -95.7 151.94 38.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.623 0.725 . . . . 0.0 110.891 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 129.3 17.35 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.721 2.281 . . . . 0.0 112.316 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 24.3 mm -80.96 -52.33 14.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -64.09 -77.1 0.25 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.484 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 16.5 m -71.75 177.13 4.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.876 0.369 . . . . 0.0 110.893 -179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.497 ' CZ3' ' OD1' ' A' ' 41' ' ' ASN . 62.8 p-90 -129.19 121.38 27.55 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.926 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.432 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 0.2 OUTLIER -75.92 135.54 40.09 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.992 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.432 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -74.08 170.5 15.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.913 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.0 t -116.52 -36.99 3.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.832 -179.798 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.468 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 30.2 m -73.03 -43.37 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.141 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.458 ' N ' HG23 ' A' ' 36' ' ' VAL . 15.6 p -115.32 -16.77 11.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 73.2 m 54.53 47.04 23.62 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 75.0 t -110.52 145.4 16.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.12 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.1 m -57.63 140.22 51.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.834 -179.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.497 ' OD1' ' CZ3' ' A' ' 32' ' ' TRP . 1.9 m120 -134.88 177.73 7.57 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.862 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -99.76 130.09 45.93 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.895 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -45.44 -48.17 13.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.033 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.6 mt-10 -64.95 -45.71 84.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.921 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -55.77 111.0 0.81 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.88 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -81.24 12.86 3.2 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HD3' ' C ' ' A' ' 53' ' ' SER . 7.2 mmtp -149.03 159.87 43.83 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.871 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 2.1 t -82.01 173.31 12.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.882 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 29.2 m -117.89 -37.15 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.12 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.6 t -73.45 -42.45 61.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.848 -179.849 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.468 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 21.6 p -113.32 -19.24 11.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.879 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 9.8 mtt 62.54 45.18 6.41 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.428 ' C ' ' HD3' ' A' ' 47' ' ' LYS . 36.6 p -101.42 155.52 18.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.899 -179.827 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 16.3 mp0 -60.29 146.46 43.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.495 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 41.5 tttt -89.01 138.36 29.19 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.527 0.68 . . . . 0.0 110.911 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 -173.6 0.74 Allowed 'Trans proline' 0 N--CA 1.465 -0.15 0 C-N-CA 122.698 2.265 . . . . 0.0 112.401 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.16 -0.8 . . . . 0.0 112.476 179.949 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -53.67 -55.85 22.39 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.899 0.38 . . . . 0.0 110.833 -179.736 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.3 m -108.32 131.34 54.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.801 -179.797 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.21 140.27 15.43 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 27.9 p -89.34 162.48 15.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.883 0.373 . . . . 0.0 110.918 -179.776 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t -70.92 171.32 10.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.847 -179.811 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.54 79.58 1.33 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.478 -179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 68.6 p -137.81 107.05 6.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.848 0.356 . . . . 0.0 110.857 -179.751 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 47.0 t -147.9 123.62 10.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.854 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 96.2 p -137.64 125.55 22.65 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.874 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 9.0 p 52.11 39.98 27.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 50.9 t -104.4 131.28 51.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 35.2 p -104.4 126.93 51.93 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.141 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 23.8 m -76.41 -32.41 21.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.123 179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 9.0 t -125.46 142.32 51.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 9.2 t -145.06 154.37 42.43 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.13 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -45.62 113.4 0.98 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.489 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 82.4 p -60.61 112.85 2.16 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.824 0.345 . . . . 0.0 111.18 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 15.0 mt -85.91 111.09 19.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -55.77 -89.29 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.532 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 26.4 m-85 -75.68 -55.84 5.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.869 0.366 . . . . 0.0 110.896 -179.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.38 178.2 38.55 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.479 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -70.06 -52.86 20.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.863 0.363 . . . . 0.0 110.896 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 17.0 tttt -142.99 166.44 24.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.896 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -70.59 -43.98 68.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.8 mttp -102.94 175.4 5.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.876 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -90.64 152.46 45.03 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.608 0.718 . . . . 0.0 110.871 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 123.59 10.25 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.73 2.286 . . . . 0.0 112.317 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 ' H ' HD12 ' A' ' 29' ' ' ILE . 4.7 mp -67.15 141.7 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.075 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 78.5 -75.7 1.93 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.458 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 54.2 p -59.48 170.68 0.97 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.833 0.349 . . . . 0.0 110.863 -179.73 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 33.0 p-90 -133.53 132.01 40.44 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.951 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -74.06 118.68 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.864 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.426 ' HB3' ' CA ' ' A' ' 38' ' ' CYS . 42.0 t -60.69 160.62 8.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 41.0 t -105.86 -30.95 9.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.824 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 16.0 t -74.05 -60.39 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.609 ' SG ' HG23 ' A' ' 39' ' ' VAL . 27.3 p -107.71 -21.17 12.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.426 ' CA ' ' HB3' ' A' ' 34' ' ' CYS . 60.0 m 65.98 41.58 3.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.834 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.609 HG23 ' SG ' ' A' ' 37' ' ' CYS . 91.3 t -104.62 147.79 10.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.095 -179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 93.1 p -52.48 139.66 24.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.825 -179.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.447 ' ND2' ' O ' ' A' ' 39' ' ' VAL . 1.8 m120 -139.48 171.54 14.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.895 179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.415 ' O ' ' N ' ' A' ' 45' ' ' ASP . 1.6 m120 -88.87 119.5 29.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.903 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -40.07 -43.81 1.66 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.101 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.469 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 8.8 pt-20 -68.51 -38.25 80.76 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.873 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.469 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 66.9 m-20 -59.15 115.31 3.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.875 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -79.47 11.39 3.05 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.853 -179.907 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -149.99 174.03 13.17 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.922 179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.0 t -91.39 170.68 9.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.891 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 13.5 m -115.83 -20.85 5.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.134 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 8.5 t -91.54 -38.74 12.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.872 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -117.94 -5.88 11.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.875 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER 52.14 39.79 27.39 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.9 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 86.0 p -82.19 178.04 8.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.863 -179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.464 ' HG3' ' N ' ' A' ' 55' ' ' LYS . 2.5 tt0 -96.46 148.7 22.53 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.464 ' N ' ' HG3' ' A' ' 54' ' ' GLU . 62.3 tttt -88.16 133.43 36.99 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.591 0.71 . . . . 0.0 110.858 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -179.57 3.01 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.686 2.257 . . . . 0.0 112.34 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.455 -179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.486 -0.246 . . . . 0.0 112.486 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.8 t -89.77 146.01 24.78 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 -179.762 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 71.3 p -74.05 167.94 20.53 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.81 -179.768 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -80.93 79.6 1.78 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.499 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.0 p -129.33 131.79 46.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.906 0.384 . . . . 0.0 110.872 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.3 t -138.43 109.64 6.87 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.869 -179.782 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 151.51 170.28 18.14 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.499 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 79.4 p -142.4 122.52 13.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.877 0.37 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 42.8 p -79.51 133.85 36.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 57.8 m -88.54 137.0 32.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.862 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 23.5 t -95.46 163.3 13.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 28.9 p -133.92 141.06 47.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.921 HG22 HG23 ' A' ' 14' ' ' VAL . 27.5 m -135.41 142.65 45.67 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.111 -179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.921 HG23 HG22 ' A' ' 13' ' ' THR . 8.2 t 56.19 47.99 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.167 179.951 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.415 ' O ' ' C ' ' A' ' 16' ' ' THR . 62.7 m -91.11 146.68 23.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.161 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 15' ' ' THR . 41.5 p -36.6 -51.69 0.85 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.165 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -47.43 164.17 0.2 Allowed Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.517 179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 66.6 p -70.91 141.53 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.848 0.356 . . . . 0.0 111.118 -179.845 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.43 HD12 ' H ' ' A' ' 19' ' ' LEU . 6.7 mp -58.3 -55.93 28.69 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -156.62 90.1 0.12 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.48 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 10.6 t80 -106.56 -37.95 6.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.899 0.38 . . . . 0.0 110.886 -179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -95.1 166.45 25.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.443 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.8 p30 -78.32 157.65 29.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.895 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -87.43 125.85 34.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 13.3 m-85 -69.23 175.76 3.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.904 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -108.23 141.2 40.35 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.884 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 18.1 mmm180 -91.6 152.98 43.93 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.646 0.736 . . . . 0.0 110.832 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 154.27 68.08 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.694 2.262 . . . . 0.0 112.371 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 45.7 mt -105.02 106.91 21.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.174 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 64.3 43.5 96.85 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.481 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 43.3 p -57.86 158.59 6.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.905 0.384 . . . . 0.0 110.831 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 57.8 p-90 -145.19 127.43 15.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' HG3' ' N ' ' A' ' 34' ' ' CYS . 5.5 tp10 -83.27 154.26 24.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' N ' ' HG3' ' A' ' 33' ' ' GLU . 1.8 t -86.67 171.83 10.67 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.897 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 15.3 t -117.96 -34.49 4.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.1 m -76.49 -38.37 31.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 19.0 p -117.85 -18.49 9.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.847 -179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 7.6 t 61.99 48.05 5.46 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.859 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.2 t -116.86 139.83 42.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.113 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 96.3 p -65.24 150.48 48.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.838 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 59.5 m-20 -152.37 176.64 11.43 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 m-80 -94.43 139.27 31.34 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.879 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.56 -52.55 61.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 20.3 pt-20 -42.94 -44.63 4.68 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.924 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -67.76 117.13 9.26 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 -81.03 14.47 2.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -152.89 174.05 14.58 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.3 t -88.23 172.06 9.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.3 m -115.61 -32.29 1.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.125 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 6.7 t -78.99 -43.35 24.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 26.8 p -111.76 -19.92 12.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.91 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 93.4 mtp 62.47 47.09 5.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.894 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 3.7 m -102.41 147.22 26.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.906 -179.84 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 2.7 pt-20 -52.04 131.24 31.52 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 45.5 tttt -64.74 132.39 95.42 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.548 0.69 . . . . 0.0 110.931 179.941 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -172.0 0.53 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.726 2.284 . . . . 0.0 112.342 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 CA-C-O 119.106 -0.83 . . . . 0.0 112.493 179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.5 t -67.43 147.61 52.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.924 0.393 . . . . 0.0 110.819 -179.707 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.9 m -147.28 111.95 5.32 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.837 -179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 58.43 98.19 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.549 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.4 p -124.63 153.19 42.62 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.381 . . . . 0.0 110.818 -179.704 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.9 m -156.55 124.0 5.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.827 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -84.52 116.21 4.23 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.485 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.6 t -103.15 148.23 26.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.882 0.372 . . . . 0.0 110.868 -179.719 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 86.9 p -81.85 109.03 15.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.869 -179.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 11.4 t -101.08 169.09 9.17 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.839 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 1.5 t -74.34 135.89 42.51 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.884 -179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 21.9 p -74.18 165.55 24.97 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.853 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 46.8 p -57.2 112.91 1.52 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.154 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 9.7 p -116.32 146.97 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.145 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.4 m 61.86 42.38 10.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.136 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 34.0 m -64.21 -42.33 96.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.172 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -89.56 51.68 3.64 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.471 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.524 ' O ' HG23 ' A' ' 18' ' ' THR . 12.2 t -52.91 118.94 4.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.867 0.365 . . . . 0.0 111.169 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.404 ' C ' HD12 ' A' ' 19' ' ' LEU . 2.3 pp -72.05 -39.23 69.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.922 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -57.98 103.49 0.34 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.55 179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 38.4 m-85 -71.44 150.44 44.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.39 . . . . 0.0 110.875 -179.833 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.14 93.78 0.3 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.482 -179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 20.5 m-20 -149.39 160.47 43.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 0.0 110.857 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -63.69 124.88 22.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 70.5 m-85 -83.33 159.72 21.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.87 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mmmm 61.01 41.08 14.44 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.871 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.6 ptm180 -89.97 152.37 46.29 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.599 0.714 . . . . 0.0 110.868 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 152.18 69.45 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.371 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 49.7 mm -112.15 115.96 51.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.147 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 108.62 -44.1 1.57 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.466 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -62.4 164.61 7.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.879 0.371 . . . . 0.0 110.846 -179.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 41.8 p-90 -111.59 125.19 53.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.945 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -67.82 113.85 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.885 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.405 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 35.1 t -58.45 163.47 3.09 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.83 -179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 10.0 t -106.45 -33.28 7.76 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.841 -179.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.5 t -73.36 -61.33 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.13 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -104.66 -21.04 13.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.888 179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.405 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 61.1 m 64.28 47.19 3.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.893 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.79 147.87 15.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.076 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . 0.401 ' O ' ' OD1' ' A' ' 41' ' ' ASN . 15.3 m -57.62 151.03 17.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.828 -179.86 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.401 ' OD1' ' O ' ' A' ' 40' ' ' SER . 67.6 m-80 -157.42 176.88 12.08 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.904 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -80.22 131.44 35.69 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.884 -179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -54.11 -45.74 71.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.075 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -60.51 -38.5 84.55 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.887 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -60.16 115.63 3.62 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.827 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 m-80 -81.7 15.48 2.15 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.903 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 26.0 mtmt -154.98 163.97 39.55 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.917 179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.8 t -80.93 171.02 15.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.1 m -116.69 -34.06 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.131 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 16.5 t -74.59 -43.11 57.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.864 -179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 28.6 p -112.38 -19.95 11.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.851 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 41.9 mtm 62.54 45.15 6.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.854 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 89.8 p -94.77 170.09 9.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.877 -179.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 25.7 mp0 -78.5 135.39 37.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.871 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 66.8 tttt -81.04 132.19 57.46 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.525 0.678 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 158.1 58.11 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.683 2.256 . . . . 0.0 112.388 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 CA-C-O 119.101 -0.833 . . . . 0.0 112.481 -179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 43.3 p -81.0 13.24 2.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.903 0.382 . . . . 0.0 110.854 -179.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -86.26 -58.65 2.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -161.48 103.27 0.22 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.489 -179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.6 p -159.32 159.63 34.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.898 0.38 . . . . 0.0 110.851 -179.749 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 95.1 p -85.16 150.88 24.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.913 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.57 -83.28 1.13 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.49 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.9 m -60.48 154.8 19.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.918 0.389 . . . . 0.0 110.83 -179.745 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 68.3 m -148.51 169.42 20.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 7.9 t -115.25 108.2 16.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.868 -179.868 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 50.9 m -133.07 177.03 7.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.826 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 12.1 t -78.02 133.37 37.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 26.8 m -68.52 -58.45 4.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.136 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 14' ' ' VAL . 27.0 m -122.81 113.6 38.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.107 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.2 m -65.96 -43.37 88.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.15 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.444 ' O ' HD22 ' A' ' 19' ' ' LEU . 14.0 t -134.21 140.95 46.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.147 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -70.42 -35.56 68.85 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.468 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 65.7 p -81.49 17.23 1.44 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.886 0.374 . . . . 0.0 111.138 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.444 HD22 ' O ' ' A' ' 16' ' ' THR . 0.9 OUTLIER -52.02 154.53 2.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 108.52 -87.91 0.5 Allowed Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.473 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 6.6 t80 -63.71 -62.47 1.63 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.874 0.369 . . . . 0.0 110.882 -179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.48 121.22 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.446 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 33.6 t0 -63.42 -52.78 60.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.892 0.377 . . . . 0.0 110.94 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 1.2 mptp? -84.73 127.15 33.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.901 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 39.6 m-85 -89.26 16.93 6.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.912 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.7 mmmt -102.87 145.74 29.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 69.6 mtt-85 -71.5 156.02 91.94 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.575 0.702 . . . . 0.0 110.891 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 4.66 2.05 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.692 2.262 . . . . 0.0 112.343 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 14.3 mm 54.22 47.63 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.103 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 152.0 -61.61 0.4 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.495 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 57.6 m -60.72 170.03 1.62 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.823 0.344 . . . . 0.0 110.849 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.447 ' CE2' ' HD2' ' A' ' 55' ' ' LYS . 10.7 p-90 -127.55 134.23 49.75 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.973 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.7 tt0 -84.91 118.33 24.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.925 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.1 t -56.43 171.9 0.26 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.888 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 14.1 t -117.78 -37.79 3.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.88 -179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 14.3 m -72.44 -38.9 61.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.078 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 20.0 p -117.51 -21.36 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 13.5 m 61.29 45.08 9.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 54.8 t -110.43 144.44 18.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.143 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 36.7 p -62.17 132.3 52.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.849 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -126.59 175.66 7.78 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.5 m-80 -93.3 124.61 37.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.883 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -41.75 -42.49 2.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.075 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -67.03 -43.82 81.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.887 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -61.66 103.75 0.36 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 21.7 t30 -66.25 -16.26 63.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.827 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 29.9 mttp -123.95 157.58 34.02 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.9 t -69.85 173.21 6.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.901 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 27.7 m -117.79 -34.1 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.102 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.1 t -78.8 -43.95 24.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.846 -179.817 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 16.4 p -111.61 -15.82 13.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.856 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 3.2 mmm 58.2 46.88 15.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 14.4 m -97.82 145.57 26.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.867 -179.809 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 21.4 mt-10 -59.64 135.19 57.6 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.447 ' HD2' ' CE2' ' A' ' 32' ' ' TRP . 43.9 tttp -74.47 131.58 79.95 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.539 0.685 . . . . 0.0 110.926 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 131.01 20.42 Favored 'Trans proline' 0 C--N 1.341 0.139 0 C-N-CA 122.693 2.262 . . . . 0.0 112.362 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.334 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.467 179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.361 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 t -93.35 -49.92 5.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.892 0.377 . . . . 0.0 110.86 -179.717 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 57.2 p -154.44 171.79 18.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.846 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.64 55.57 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.473 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 31.7 m -123.09 141.28 52.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.874 0.368 . . . . 0.0 110.852 -179.724 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -68.45 173.26 5.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.867 -179.837 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.73 76.93 0.28 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.49 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 37.4 p -149.44 161.42 42.14 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.858 0.361 . . . . 0.0 110.897 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 2.8 m -74.01 154.21 39.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.883 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 15.7 m -157.59 128.61 6.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.871 -179.789 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 54.4 p -139.67 124.35 18.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.866 -179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 13.2 t -86.55 139.5 30.79 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.829 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 56.2 m -86.52 141.48 29.03 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.194 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.6 111.01 1.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.135 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 62.5 p -69.07 128.88 38.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.147 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 25.9 m -93.21 132.4 37.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.141 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . -83.63 134.95 13.25 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.461 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.456 ' C ' HD13 ' A' ' 19' ' ' LEU . 11.0 t -88.89 163.95 15.39 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.859 0.361 . . . . 0.0 111.106 -179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.661 HD22 ' N ' ' A' ' 19' ' ' LEU . 0.2 OUTLIER -116.25 132.95 56.52 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.894 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 171.78 53.69 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.432 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 22.0 p90 -127.77 135.17 49.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.907 0.384 . . . . 0.0 110.911 -179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.502 ' C ' ' CG ' ' A' ' 23' ' ' ASP . . . 135.3 63.07 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.503 -179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . 0.502 ' CG ' ' C ' ' A' ' 22' ' ' GLY . 0.1 OUTLIER 51.61 39.93 26.06 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.871 0.367 . . . . 0.0 110.835 -179.96 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 49.5 mttm -110.48 132.71 53.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.867 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -83.39 12.89 4.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.901 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.9 mmmt -45.03 -48.26 11.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.905 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 93.9 mtm-85 -78.06 154.8 80.15 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.572 0.701 . . . . 0.0 110.882 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.74 79.09 0.96 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.688 2.259 . . . . 0.0 112.344 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.565 ' O ' HG22 ' A' ' 29' ' ' ILE . 11.7 mt 52.01 44.9 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.083 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.475 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . 54.25 30.22 47.46 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.856 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 55.8 m -82.6 179.4 7.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.858 0.361 . . . . 0.0 110.883 -179.743 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.523 ' CE3' ' HG3' ' A' ' 55' ' ' LYS . 3.6 p-90 -125.7 148.73 48.94 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.927 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -97.81 111.54 23.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.867 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.425 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.8 t -52.04 172.66 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.91 -179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 4.2 m -116.88 -37.82 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 37' ' ' CYS . 31.3 m -75.92 -42.94 39.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.121 179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.479 ' SG ' HG23 ' A' ' 39' ' ' VAL . 14.9 p -115.55 -11.9 11.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.425 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 76.1 m 52.09 47.24 25.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.884 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.479 HG23 ' SG ' ' A' ' 37' ' ' CYS . 96.7 t -112.16 147.26 16.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.9 p -72.15 152.78 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.844 -179.86 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 40.9 m-80 -155.21 172.07 18.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.869 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.2 m120 -70.24 128.15 35.26 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.475 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -49.32 -49.71 42.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.074 179.882 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -56.79 -44.78 82.21 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.81 116.04 3.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 9.9 p-10 -83.92 14.64 3.89 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.877 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . 0.428 ' HE2' ' CD ' ' A' ' 54' ' ' GLU . 23.3 mmtt -144.55 164.78 29.89 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.4 t -85.81 171.79 11.28 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.871 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 16.3 m -118.01 -26.85 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.074 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.9 t -85.97 -40.53 15.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.431 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 19.4 p -115.08 -15.01 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 62.1 mtm 59.32 39.31 22.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 38.7 t -99.19 149.71 22.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.844 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . 0.428 ' CD ' ' HE2' ' A' ' 47' ' ' LYS . 21.7 mm-40 -51.97 153.95 2.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.885 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.523 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 38.1 tttm -101.08 133.79 20.77 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.698 . . . . 0.0 110.948 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.69 145.02 56.3 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.694 2.263 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.135 -0.814 . . . . 0.0 112.497 179.959 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 p -93.54 13.34 22.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.94 0.4 . . . . 0.0 110.887 -179.782 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.8 m -118.2 143.42 46.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.839 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.2 -102.26 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.509 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 13.0 t -112.04 146.2 38.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.904 -179.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 52.0 p -142.1 160.93 39.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.12 -125.78 1.64 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.439 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 4.6 m -113.01 128.47 56.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.9 0.381 . . . . 0.0 110.858 -179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 1.6 t -58.77 131.07 49.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.824 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 63.3 p -146.08 106.59 4.07 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.827 -179.785 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 29.4 t -154.02 132.52 12.09 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.915 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 19.7 p -104.93 152.88 22.14 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . 0.604 ' O ' HG22 ' A' ' 14' ' ' VAL . 9.0 t -154.64 150.51 27.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.157 -179.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.604 HG22 ' O ' ' A' ' 13' ' ' THR . 25.1 m 46.15 31.99 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.156 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 87.3 m -68.48 -63.09 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.857 ' O ' HG23 ' A' ' 18' ' ' THR . 3.5 t -150.54 118.23 6.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.111 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.433 ' C ' ' O ' ' A' ' 16' ' ' THR . . . 35.09 40.0 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.491 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.857 HG23 ' O ' ' A' ' 16' ' ' THR . 41.1 p -113.61 108.45 17.16 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.767 0.318 . . . . 0.0 111.173 -179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 13.5 mt -122.23 116.61 24.43 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.887 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 87.87 76.15 1.28 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.508 179.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 51.7 p90 -80.38 13.2 2.53 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.857 0.361 . . . . 0.0 110.858 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -58.13 105.3 0.6 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.482 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -82.81 113.01 20.15 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.85 0.357 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.421 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 2.3 pptp? -78.49 150.44 32.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.902 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 55.6 m-85 -142.66 148.34 37.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.862 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -49.87 -49.61 48.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.951 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 13.6 ptm180 -93.15 151.6 40.59 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.589 0.709 . . . . 0.0 110.9 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.87 165.11 32.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.659 2.239 . . . . 0.0 112.319 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 20.5 mt -51.9 -48.34 39.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.129 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' O ' ' HB2' ' A' ' 43' ' ' ALA . . . -175.75 42.53 0.11 Allowed Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.464 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 3.5 m -82.21 141.34 33.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.849 0.357 . . . . 0.0 110.869 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.575 ' O ' ' CE3' ' A' ' 32' ' ' TRP . 63.3 p-90 -114.09 115.42 27.53 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 61.5 tt0 -61.38 123.09 16.81 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.935 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 25.8 t -65.91 165.06 13.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.899 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 57.9 m -107.27 -35.52 6.79 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.866 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.61 HG21 ' OG ' ' A' ' 53' ' ' SER . 16.8 t -71.53 -62.13 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.168 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 32.0 p -102.17 -22.45 14.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.858 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 59.5 m 65.89 46.45 2.25 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 62.4 t -113.29 143.86 22.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.095 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 83.4 p -55.12 150.35 10.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 74.9 m-80 -153.89 177.76 10.67 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.5 m-20 -84.91 133.48 34.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.529 ' HB2' ' O ' ' A' ' 30' ' ' GLY . . . -52.42 -53.6 43.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.067 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.474 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 9.6 pt-20 -52.98 -40.75 63.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.872 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 1.0 OUTLIER -59.11 111.94 1.51 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.874 -179.966 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 8.7 p-10 -80.54 13.83 2.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.942 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 33.4 mttm -151.33 169.52 21.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 11.7 t -90.97 168.0 11.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.925 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 28.4 m -116.26 -31.25 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.118 179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 30.3 t -73.7 -43.38 59.4 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.862 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . . . . . . . . . 31.0 p -114.39 -22.58 9.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.868 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 12.6 mtm 68.05 39.74 2.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.61 ' OG ' HG21 ' A' ' 36' ' ' VAL . 12.2 m -100.04 156.35 17.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.859 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -54.09 140.5 31.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.9 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . . . . . . . . . 37.6 tttp -78.38 137.46 59.86 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.65 0.738 . . . . 0.0 110.841 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 179.34 3.76 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.667 2.245 . . . . 0.0 112.328 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.154 -0.803 . . . . 0.0 112.451 179.978 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 N-CA-C 112.463 -0.255 . . . . 0.0 112.463 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 65.4 p -64.6 144.64 57.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.826 0.346 . . . . 0.0 110.893 -179.734 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.8 t -94.43 -52.76 4.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.859 -179.802 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 49.28 -176.82 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.503 -179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -128.58 119.08 24.11 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 0.0 110.836 -179.716 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.3 m -154.71 166.0 34.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.847 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 136.23 105.84 0.79 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.672 -0.775 . . . . 0.0 112.446 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.6 t -105.68 151.63 24.16 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.82 0.343 . . . . 0.0 110.894 -179.767 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 66.3 m -144.83 173.49 11.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 34.1 m -132.04 149.87 52.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.854 -179.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 41.7 p -137.52 144.09 41.98 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.832 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 31.6 p -80.41 137.0 36.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.865 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 88.3 m -87.69 107.33 18.57 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.147 -179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 34.1 m -81.16 164.35 3.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.091 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . 0.475 ' CG2' HG22 ' A' ' 18' ' ' THR . 38.3 m -73.97 123.51 24.44 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.117 -179.945 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 68.9 p -80.1 -45.72 17.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.105 -179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.674 ' O ' HG22 ' A' ' 18' ' ' THR . . . -138.99 -122.25 1.99 Allowed Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.5 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.674 HG22 ' O ' ' A' ' 17' ' ' GLY . 12.2 t 47.88 32.02 2.57 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.83 0.348 . . . . 0.0 111.16 -179.877 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 4.4 pp -161.08 158.51 27.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.947 179.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 96.99 -137.31 13.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.522 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 5.9 t80 58.4 41.85 22.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.919 0.39 . . . . 0.0 110.916 -179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 136.25 115.71 1.48 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -146.49 125.47 12.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.882 0.372 . . . . 0.0 110.902 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 11.6 tppt? -78.57 -59.46 2.77 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -60.42 114.93 3.2 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.405 ' HD2' ' N ' ' A' ' 27' ' ' ARG . 1.4 tmmm? -125.91 144.15 50.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.912 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.405 ' N ' ' HD2' ' A' ' 26' ' ' LYS . 26.5 mtm105 -134.64 158.04 75.96 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.564 0.697 . . . . 0.0 110.891 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 92.89 0.52 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.638 2.225 . . . . 0.0 112.342 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 51.1 mt -61.1 -48.11 90.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.148 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -79.09 55.64 4.32 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.443 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . 0.463 ' OG ' ' N ' ' A' ' 32' ' ' TRP . 1.0 OUTLIER -139.59 176.03 9.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.871 0.367 . . . . 0.0 110.847 -179.767 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.538 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 67.6 p-90 -125.38 113.97 18.25 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.949 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -70.64 145.16 50.82 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.864 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.406 ' HB3' ' N ' ' A' ' 38' ' ' CYS . 1.9 t -79.64 174.17 11.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 96.6 p -117.71 -36.8 3.58 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.857 -179.822 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.459 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 24.2 m -76.01 -42.98 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.103 179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.643 ' SG ' HG23 ' A' ' 39' ' ' VAL . 15.3 p -116.48 -12.46 11.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . 0.406 ' N ' ' HB3' ' A' ' 34' ' ' CYS . 74.9 m 53.87 47.99 22.32 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.643 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.9 t -109.01 142.18 22.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 23.3 p -66.4 151.23 47.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 62.2 m-80 -152.74 168.47 25.58 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.6 t-20 -69.76 154.08 42.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -70.16 -33.6 71.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.2 pt-20 -75.84 -41.64 51.9 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.877 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.453 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 6.5 m-20 -60.58 106.9 0.61 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.842 -179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . 0.412 ' OD1' ' C ' ' A' ' 46' ' ' ASN . 35.2 p30 -79.52 11.43 3.07 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.888 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 19.1 mtmm -142.25 153.4 43.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.865 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 5.9 t -75.88 171.49 14.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.892 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 26.8 m -116.18 -31.85 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.141 179.902 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 33.1 t -76.82 -43.15 37.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.54 ' O ' ' CG ' ' A' ' 52' ' ' MET . 29.9 p -112.32 -6.92 14.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.886 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . 0.54 ' CG ' ' O ' ' A' ' 51' ' ' CYS . 3.5 ptt? 51.71 32.57 9.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.2 p -88.54 164.9 15.19 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.914 -179.851 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -76.91 141.72 40.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.836 -179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.538 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 19.9 ttpp -85.61 138.41 35.81 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.613 0.72 . . . . 0.0 110.925 179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -176.41 1.47 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.72 2.28 . . . . 0.0 112.362 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 CA-C-O 119.086 -0.841 . . . . 0.0 112.486 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.3 m -111.1 135.66 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.855 0.36 . . . . 0.0 110.877 -179.774 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.5 m -113.22 159.7 19.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.871 -179.779 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 154.05 -44.47 0.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.527 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 36.6 m -59.85 167.75 2.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 0.0 110.881 -179.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 98.8 p -78.94 135.98 37.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -68.18 -153.64 0.49 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.493 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -148.28 162.0 40.38 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.847 0.356 . . . . 0.0 110.878 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 30.3 t -87.65 130.75 34.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 37.8 m -128.41 177.41 7.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 22.4 p -61.0 171.43 1.24 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.833 -179.813 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -59.68 130.27 46.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.876 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 11.0 m -103.91 139.74 38.66 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.868 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 35.6 m -58.52 172.3 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.169 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 84.9 m -90.71 131.47 36.38 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.114 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.42 ' O ' ' C ' ' A' ' 17' ' ' GLY . 94.5 m -144.46 143.51 30.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.181 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.42 ' C ' ' O ' ' A' ' 16' ' ' THR . . . -35.29 -58.35 0.84 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.458 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.425 ' O ' HG23 ' A' ' 18' ' ' THR . 14.4 t -93.32 127.92 39.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.788 0.328 . . . . 0.0 111.159 -179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . . . . . . . . . 83.5 mt -100.04 128.45 46.12 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.925 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . 105.77 -43.42 1.68 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.479 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 14.9 t80 -84.72 128.79 34.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.917 0.389 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 157.47 63.47 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.491 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -151.96 148.61 27.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.864 0.364 . . . . 0.0 110.84 -179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.45 ' HD2' ' N ' ' A' ' 24' ' ' LYS . 3.0 mptp? -80.2 12.86 2.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 30.5 m-85 -91.8 -45.89 8.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.87 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.0 tptt -48.75 -47.38 41.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.925 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.4 mtt-85 -55.37 156.58 7.94 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 110.888 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.77 -175.51 1.18 Allowed 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.722 2.282 . . . . 0.0 112.309 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -95.09 -42.19 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.119 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 177.58 103.16 0.17 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.457 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 14.7 m -150.76 176.78 10.71 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.865 0.364 . . . . 0.0 110.834 -179.733 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.559 ' CE3' ' HD2' ' A' ' 56' ' ' PRO . 9.0 p-90 -134.58 131.6 38.07 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.931 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . 0.444 ' CD ' ' O ' ' A' ' 34' ' ' CYS . 12.7 tm-20 -87.39 113.88 23.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.916 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.444 ' O ' ' CD ' ' A' ' 33' ' ' GLU . 1.8 t -52.62 171.72 0.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 77.2 p -117.56 -36.95 3.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.491 HG23 ' N ' ' A' ' 37' ' ' CYS . 27.1 m -73.97 -44.59 50.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.122 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.491 ' N ' HG23 ' A' ' 36' ' ' VAL . 17.4 p -112.76 -16.73 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 69.2 m 54.82 47.16 22.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.876 -179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.7 t -109.59 142.7 21.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.101 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 33.4 p -60.62 135.65 57.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.803 -179.835 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . 0.511 ' HB2' ' CE2' ' A' ' 32' ' ' TRP . 1.9 m120 -132.16 177.87 7.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.875 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . 0.45 ' O ' ' N ' ' A' ' 45' ' ' ASP . 4.0 m120 -101.93 117.76 35.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . 0.423 ' C ' ' O ' ' A' ' 42' ' ' ASN . . . -36.09 -33.04 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.149 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.438 ' N ' ' O ' ' A' ' 42' ' ' ASN . 4.6 mp0 -68.48 -48.52 64.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.889 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.45 ' N ' ' O ' ' A' ' 42' ' ' ASN . 1.1 m-20 -60.44 109.1 0.92 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.882 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -65.86 -18.71 65.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.883 -179.917 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 37.4 mtmt -126.58 166.11 17.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.916 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 1.8 t -75.98 175.54 8.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.868 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.96 -35.13 1.84 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.166 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.3 t -80.02 -40.51 27.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.86 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.428 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 18.1 p -114.47 -12.49 12.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.85 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 32.5 mtm 55.11 47.99 20.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 39.2 t -102.55 148.1 25.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.859 -179.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 6.2 pt-20 -55.77 133.38 50.95 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.448 ' HG3' ' CE3' ' A' ' 32' ' ' TRP . 32.6 tttm -69.13 132.58 90.05 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . 0.559 ' HD2' ' CE3' ' A' ' 32' ' ' TRP . 53.6 Cg_endo -69.77 156.66 62.75 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.748 2.298 . . . . 0.0 112.346 179.884 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 CA-C-O 119.118 -0.823 . . . . 0.0 112.475 179.981 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.295 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.1 m -128.22 136.42 51.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.902 0.382 . . . . 0.0 110.862 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.7 m -153.25 143.89 22.65 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.88 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 155.92 -149.11 20.02 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.517 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 29.7 t -90.96 117.29 29.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.381 . . . . 0.0 110.833 -179.75 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.3 m -40.06 -49.96 2.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.847 -179.81 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 85.95 46.53 5.34 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.448 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 80.7 p -68.47 126.74 30.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.849 0.357 . . . . 0.0 110.8 -179.729 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' SER . . . . . . . . . . . . . 6.3 t -100.91 131.81 46.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.85 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' SER . . . . . . . . . . . . . 90.9 p -80.31 152.85 28.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.818 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' SER . . . . . . . . . . . . . 8.0 t -94.18 -50.29 5.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.874 -179.875 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.2 t -58.03 157.08 8.38 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.868 -179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' THR . . . . . . . . . . . . . 85.3 m -129.54 128.57 43.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.083 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 92.2 t -61.89 122.07 11.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.145 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 93.7 m -117.83 -36.85 3.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.137 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 51.0 p -42.73 -40.48 2.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.116 -179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.475 ' O ' HG22 ' A' ' 18' ' ' THR . . . -43.92 -84.93 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.44 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.475 HG22 ' O ' ' A' ' 17' ' ' GLY . 14.8 t 42.54 31.98 0.33 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.824 0.345 . . . . 0.0 111.135 -179.848 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LEU . . . . . 0.477 HD12 ' N ' ' A' ' 20' ' ' GLY . 3.1 pp -59.96 -36.09 76.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.909 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.477 ' N ' HD12 ' A' ' 19' ' ' LEU . . . 130.08 -156.99 21.76 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.484 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 m-85 -103.17 122.21 44.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.829 0.347 . . . . 0.0 110.874 -179.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -168.77 -112.12 0.26 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -72.85 173.02 9.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.869 0.366 . . . . 0.0 110.872 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.58 137.47 52.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.873 179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PHE . . . . . . . . . . . . . 4.9 p90 -91.27 107.25 19.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 17.7 mtpp -118.08 163.3 16.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.87 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 10.1 ptp85 -70.61 141.74 88.06 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.617 0.722 . . . . 0.0 110.898 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 147.99 63.78 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 5.3 mp -92.11 105.73 16.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.138 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 85.3 -52.78 4.7 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.467 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 17.1 m -54.59 142.07 29.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.866 0.365 . . . . 0.0 110.882 -179.781 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.54 ' CG ' ' HD2' ' A' ' 55' ' ' LYS . 58.9 p-90 -107.91 122.39 46.72 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.922 179.971 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.4 tt0 -76.86 148.9 36.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -81.98 173.56 12.09 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.908 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' SER . . . . . . . . . . . . . 23.1 t -116.86 -36.85 3.74 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.853 -179.812 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.496 ' CG2' ' SG ' ' A' ' 51' ' ' CYS . 27.5 m -75.81 -43.12 40.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.135 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . 0.548 ' SG ' HG23 ' A' ' 39' ' ' VAL . 16.9 p -113.84 -15.34 12.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.902 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' CYS . . . . . . . . . . . . . 21.6 m 57.6 47.82 15.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.866 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.548 HG23 ' SG ' ' A' ' 37' ' ' CYS . 86.8 t -113.71 138.9 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.171 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 88.8 p -67.95 154.8 40.85 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.828 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ASN . . . . . . . . . . . . . 55.5 m-80 -155.26 171.52 19.7 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.853 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 65.4 m-20 -64.52 129.0 38.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.911 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ALA . . . . . . . . . . . . . . . -48.46 -42.79 33.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.08 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLU . . . . . 0.443 ' HG3' ' N ' ' A' ' 45' ' ' ASP . 15.3 pt-20 -65.39 -46.51 79.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.887 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASP . . . . . 0.443 ' N ' ' HG3' ' A' ' 44' ' ' GLU . 16.7 m-20 -56.52 108.73 0.52 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.901 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ASN . . . . . . . . . . . . . 16.6 t30 -80.28 11.89 3.27 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' LYS . . . . . . . . . . . . . 28.7 mttp -140.02 163.24 33.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.939 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' CYS . . . . . . . . . . . . . 4.2 t -87.01 171.03 11.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.893 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' VAL . . . . . . . . . . . . . 33.0 m -116.65 -34.32 1.85 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.117 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 2.5 t -76.92 -43.05 37.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.865 -179.866 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' CYS . . . . . 0.496 ' SG ' ' CG2' ' A' ' 36' ' ' VAL . 17.1 p -114.5 -17.16 11.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.88 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' MET . . . . . . . . . . . . . 54.2 mtt 57.7 47.92 14.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 42.5 t -101.91 142.58 32.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.896 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' GLU . . . . . . . . . . . . . 32.5 mm-40 -54.8 144.04 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' LYS . . . . . 0.54 ' HD2' ' CG ' ' A' ' 32' ' ' TRP . 18.0 ttpp -87.43 135.08 34.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.588 0.709 . . . . 0.0 110.92 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 137.15 34.85 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.69 2.26 . . . . 0.0 112.365 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.467 179.975 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_