data_1wee_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 1wee _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 ' 17' ' ' VAL . . . . . 0.415 ' CG1' ' HE1' ' A' ' 31' ' ' MET . 60.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.472 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 41' ' ' HIS . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CD2' HG13 ' A' ' 39' ' ' VAL . 18.7 m-70 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 59' ' ' LEU . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.592 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 13.7 m-70 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' ILE . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' CYS . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 60' ' ' CYS . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 40' ' ' TRP . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.498 ' CD1' HG21 ' A' ' 17' ' ' VAL . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 47' ' ' GLY . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' SG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.405 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.41 ' C ' HD21 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.41 HD21 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 43' ' ' THR . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.352 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 24' ' ' LYS . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.46 ' N ' HG23 ' A' ' 23' ' ' THR . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.482 ' C ' ' O ' ' A' ' 47' ' ' GLY . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' HG22 ' A' ' 48' ' ' ILE . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 59' ' ' LEU . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.425 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 41' ' ' HIS . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.516 ' CD2' HG13 ' A' ' 39' ' ' VAL . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' HIS . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.513 HG22 ' CZ ' ' A' ' 58' ' ' PHE . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.513 ' CZ ' HG22 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 41' ' ' HIS . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 39' ' ' VAL . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' A' ' 32' ' ' LEU . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 58' ' ' PHE . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 41' ' ' HIS . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.408 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.454 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 43' ' ' THR . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD2' HD12 ' A' ' 32' ' ' LEU . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 40' ' ' TRP . 34.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.455 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.457 HG23 ' CD2' ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.365 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ILE . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' THR . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 41' ' ' HIS . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.538 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 24.5 m-70 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.459 ' CG1' HD13 ' A' ' 46' ' ' ILE . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 40' ' ' TRP . 19.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.88 0.372 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 41' ' ' HIS . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.431 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.447 ' CD2' HG12 ' A' ' 39' ' ' VAL . 50.2 m-70 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 60' ' ' CYS . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.886 0.374 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.409 ' HG3' ' C ' ' A' ' 30' ' ' ARG . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.484 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 45.5 t30 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.415 ' CG1' ' HE2' ' A' ' 31' ' ' MET . 45.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 58' ' ' PHE . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.434 HG13 ' CD2' ' A' ' 41' ' ' HIS . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CD2' HG13 ' A' ' 39' ' ' VAL . 9.1 m170 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . 0.499 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 47' ' ' GLY . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' CYS . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' HD23 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.462 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.543 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' CG ' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' CD ' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.421 HG23 ' C ' ' A' ' 25' ' ' ASP . 33.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' MET . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 58' ' ' PHE . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 40' ' ' TRP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . 0.626 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . 0.626 ' CD2' ' C ' ' A' ' 40' ' ' TRP . 15.9 m-70 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' THR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 49' ' ' ASN . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' CYS . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 48' ' ' ILE . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 59' ' ' LEU . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -75.09 161.56 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -121.05 164.79 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 148.49 18.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -112.13 -29.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 m -152.15 171.4 17.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.52 151.68 6.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.66 154.24 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.02 80.1 6.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -174.99 127.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.08 -96.1 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.64 143.39 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ASN . 1.9 t70 -59.63 -174.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' ASP . 19.0 t-20 -34.23 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -35.97 113.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -81.07 107.4 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' CG1' ' HE1' ' A' ' 31' ' ' MET . 60.2 t -111.3 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.472 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.472 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.433 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.461 ' NE1' ' HB2' ' A' ' 15' ' ' TRP . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.543 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.543 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m -60.33 114.85 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.84 167.05 35.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -6.37 18.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.391 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -44.35 100.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 p -65.12 -52.06 57.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.506 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -133.27 160.62 36.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -78.02 128.34 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 153.03 25.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -112.05 93.23 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -117.96 151.61 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 119.56 161.18 11.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.9 ptp 33.08 49.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.29 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.94 32.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -100.04 27.5 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.81 -158.1 23.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.58 -56.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -124.87 -71.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.2 -51.22 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.558 ' CZ3' HG22 ' A' ' 17' ' ' VAL . 0.2 OUTLIER -89.76 -178.85 5.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -115.7 135.69 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.558 HG22 ' CZ3' ' A' ' 15' ' ' TRP . 17.3 t -132.39 104.87 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.477 HG13 ' CD2' ' A' ' 41' ' ' HIS . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CD2' HG13 ' A' ' 39' ' ' VAL . 18.7 m-70 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.428 ' N ' HD21 ' A' ' 59' ' ' LEU . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -53.44 150.8 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.88 140.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.14 39.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -169.93 139.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.6 t -70.68 -54.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -74.17 129.1 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.9 -54.99 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.32 -179.35 29.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -87.49 -64.12 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -167.2 111.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.95 46.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -129.57 80.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.24 140.31 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mtm105 -139.24 132.51 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.49 125.77 5.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.1 t -38.27 156.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.097 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -81.83 -63.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -47.3 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -108.28 111.44 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.75 101.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 45.9 t -102.51 96.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.438 HD22 ' N ' ' A' ' 32' ' ' LEU . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.592 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 13.7 m-70 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.4 ' O ' ' N ' ' A' ' 48' ' ' ILE . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.452 ' O ' ' CD1' ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 60' ' ' CYS . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' CD1' ' O ' ' A' ' 60' ' ' CYS . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t -44.85 132.16 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.46 -145.57 4.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 88.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -157.15 174.03 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 m -138.1 166.48 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.513 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -46.02 -54.72 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -162.67 136.23 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.04 -175.11 29.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -120.08 173.54 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -134.63 108.47 8.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 66.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.69 151.21 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 25.57 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -122.88 171.83 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.24 -143.53 16.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 99.9 t -125.25 123.43 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.169 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -121.37 -47.2 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -114.4 -27.93 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.783 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 21.7 m95 -57.62 90.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -63.54 74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.498 HG21 ' CD1' ' A' ' 40' ' ' TRP . 84.5 t -88.33 78.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.783 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 47' ' ' GLY . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.453 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t -48.1 112.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.72 157.76 30.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.328 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m -121.85 121.24 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 120.75 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -139.04 159.65 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.09 177.2 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.41 -158.61 7.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -146.99 127.59 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -139.92 153.04 46.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 158.12 9.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mtm -117.71 150.97 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -81.88 120.21 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.96 144.23 56.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.13 -174.52 26.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 m -78.43 139.16 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.55 -49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -129.85 -56.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -39.67 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 68.4 mttt -68.89 83.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m -73.88 -17.46 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' SG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.446 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.446 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.405 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.405 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.41 ' C ' HD21 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.41 HD21 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t 54.94 40.65 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.57 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -5.71 16.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.2 t -123.49 41.02 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -116.1 107.16 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -144.52 175.48 10.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -162.1 136.59 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.41 81.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -85.3 165.11 17.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -61.06 138.56 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.77 115.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.3 mtm -111.87 91.47 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -41.55 115.85 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -82.98 179.4 7.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.2 -162.34 10.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 15.3 m -49.05 174.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -114.69 -49.76 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 26.6 t30 -130.01 47.4 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 14' ' ' ASN . 21.4 m0 -143.21 162.86 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -130.92 44.75 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.28 121.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.427 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.427 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.444 ' CG1' ' O ' ' A' ' 43' ' ' THR . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.538 ' CD2' ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.445 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t -38.9 146.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.79 173.54 29.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 m -122.28 41.68 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 100.28 6.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -158.06 173.17 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -159.82 118.41 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.26 125.34 1.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.53 136.91 29.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -124.64 174.7 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.24 -49.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.1 mtt 42.38 40.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.58 109.72 20.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -96.7 94.47 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.63 149.43 18.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 33.6 t -61.87 116.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 111.134 -179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.58 -55.91 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.35 -53.6 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 28.4 m95 -113.71 89.52 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -56.08 102.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t -96.38 87.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.4 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.509 HD12 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.422 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.486 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.486 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.509 ' CG ' HD12 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.436 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.436 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t -35.04 -41.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.91 156.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -2.26 9.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m 49.86 42.07 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.6 m -40.38 -50.56 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -87.96 99.06 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -58.06 -46.99 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.51 53.26 9.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p 38.46 42.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 t -162.39 131.6 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.53 -128.08 4.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.23 126.61 27.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.305 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -153.56 130.4 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.426 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 14.0 mmp_? -45.39 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.31 138.22 49.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.78 144.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.77 147.15 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -40.36 -47.01 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.442 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 69.9 m95 -45.27 120.46 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -68.01 84.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.04 40.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.422 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.422 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.46 HG23 ' N ' ' A' ' 24' ' ' LYS . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.46 ' N ' HG23 ' A' ' 23' ' ' THR . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.442 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.482 ' C ' ' O ' ' A' ' 47' ' ' GLY . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' HG22 ' A' ' 48' ' ' ILE . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.417 ' C ' HD22 ' A' ' 59' ' ' LEU . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.494 HD22 ' N ' ' A' ' 59' ' ' LEU . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -72.56 88.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.0 -70.72 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -3.67 12.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 m 45.21 46.61 9.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -80.61 44.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.437 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -102.25 93.82 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -164.23 149.95 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.33 -98.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -117.94 89.54 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -127.59 111.87 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.29 -144.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 168.14 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -137.0 106.77 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -144.13 160.87 40.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.52 -89.04 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.4 HG13 ' N ' ' A' ' 13' ' ' ASP . 85.9 t -106.35 143.44 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 111.142 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -124.41 -46.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 16.6 m120 -60.69 -54.87 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' CE3' ' CZ2' ' A' ' 40' ' ' TRP . 11.9 m0 -91.54 104.69 17.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -65.21 78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.84 119.31 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.406 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.406 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.425 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.425 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.516 HG13 ' CD2' ' A' ' 41' ' ' HIS . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CZ2' ' CE3' ' A' ' 15' ' ' TRP . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.516 ' CD2' HG13 ' A' ' 39' ' ' VAL . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' HIS . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.513 HG22 ' CZ ' ' A' ' 58' ' ' PHE . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.513 ' CZ ' HG22 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -57.12 116.92 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.05 121.85 26.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.8 t -64.91 -55.76 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -51.79 -57.58 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.509 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -155.36 130.7 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -143.27 158.16 43.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.0 -127.42 4.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -48.61 107.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -63.61 115.77 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.3 -41.03 0.1 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 123.22 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.69 45.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . 0.468 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -62.92 133.73 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -134.12 12.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.3 119.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -127.31 -48.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -38.02 -52.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -101.74 174.19 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -109.11 39.0 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.74 131.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.466 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.466 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.467 ' CD2' HD13 ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.549 HG13 ' CD2' ' A' ' 41' ' ' HIS . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.549 ' CD2' HG13 ' A' ' 39' ' ' VAL . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.449 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.467 HD13 ' CD2' ' A' ' 32' ' ' LEU . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.418 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.457 ' CD1' ' C ' ' A' ' 58' ' ' PHE . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m 60.39 53.95 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.09 140.73 9.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.1 p -47.02 97.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.4 p -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.472 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -59.08 121.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -84.98 47.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.36 -54.83 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -103.91 135.39 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -41.17 -46.28 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 51.17 2.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -121.65 43.51 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -125.66 -34.38 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -65.83 138.54 57.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.31 133.41 2.95 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.404 HG21 ' N ' ' A' ' 13' ' ' ASP . 6.2 p -44.17 133.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' N ' HG21 ' A' ' 12' ' ' VAL . 9.4 m-20 -113.73 43.15 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 43.2 t-20 -130.37 -48.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 12.5 m0 -127.71 121.13 29.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -60.55 85.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.6 t -96.04 111.96 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.556 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.569 HD12 ' CD2' ' A' ' 58' ' ' PHE . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.458 HG12 ' CD2' ' A' ' 41' ' ' HIS . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.408 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.556 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.496 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.454 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.496 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 ' CG1' ' O ' ' A' ' 43' ' ' THR . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.569 ' CD2' HD12 ' A' ' 32' ' ' LEU . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.455 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.455 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -108.94 103.87 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.63 -101.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.0 m 62.17 54.22 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 m -99.17 107.38 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -89.56 99.67 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -156.9 139.81 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 125.09 2.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -95.05 101.13 12.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -160.6 157.38 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.99 110.84 3.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.77 69.95 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -142.29 124.55 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -75.76 -60.24 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.65 155.97 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -151.08 138.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.09 -59.57 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.474 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -133.77 -69.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.582 ' CD1' ' HB2' ' A' ' 16' ' ' LYS . 14.2 t-105 -110.89 -76.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.582 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 29.3 mmtt -143.75 124.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' A' ' 40' ' ' TRP . 34.6 m -122.95 47.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.441 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.569 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.474 ' NE1' ' HB3' ' A' ' 14' ' ' ASN . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.457 HG23 ' CD2' ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.444 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.444 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.457 ' CD2' HG23 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.47 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.462 ' N ' HD23 ' A' ' 59' ' ' LEU . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.441 ' CE1' ' HE2' ' A' ' 20' ' ' LYS . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' GLY . 11.8 t -48.24 -46.51 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.56 -78.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.29 47.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.3 t 55.8 41.56 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.4 t -60.71 124.47 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -133.11 98.41 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -126.09 167.76 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -177.96 18.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -138.24 145.23 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -174.56 148.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.47 82.99 1.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' MET . . . . . 0.411 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 5.8 tpt -173.03 146.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . 0.411 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.5 OUTLIER -142.18 156.54 45.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -88.1 179.82 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.57 95.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.42 ' CG2' ' O ' ' A' ' 15' ' ' TRP . 9.1 p -126.45 125.87 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.7 m-20 -106.95 -72.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.9 p-10 -34.49 -34.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.778 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 1.6 t90 -134.95 102.19 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -97.14 146.98 24.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.35 105.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.778 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.415 ' C ' ' O ' ' A' ' 48' ' ' ILE . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.454 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.454 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.415 ' O ' ' C ' ' A' ' 43' ' ' THR . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.517 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.517 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p -40.16 122.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.64 -153.11 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.61 24.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.4 m -54.98 113.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -90.47 108.53 19.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.527 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -100.36 -46.17 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -117.76 -50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.93 50.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p 42.23 42.27 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.801 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -39.58 100.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 141.24 6.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 tpt -106.8 153.99 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -40.63 135.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -93.63 85.3 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' VAL . . . 151.03 169.94 17.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.428 HG12 ' N ' ' A' ' 13' ' ' ASP . 91.7 t -37.15 144.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.428 ' N ' HG12 ' A' ' 12' ' ' VAL . 30.3 m-20 -73.87 -52.84 11.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -46.37 -59.42 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.417 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 84.5 m95 -130.0 140.03 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -69.28 128.34 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 79.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.413 HG23 ' CD2' ' A' ' 41' ' ' HIS . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.538 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 24.5 m-70 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.459 HD13 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.459 ' CG1' HD13 ' A' ' 46' ' ' ILE . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . 0.404 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.404 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.441 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.409 ' N ' ' CD2' ' A' ' 59' ' ' LEU . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -37.8 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.441 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -87.74 -67.16 1.31 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 10.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.441 ' H ' ' C ' ' A' ' 68' ' ' GLY . 21.1 p -79.75 45.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -172.0 145.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.483 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -105.07 103.7 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.4 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 -155.79 6.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -88.83 131.06 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -78.16 158.67 28.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.62 -159.87 22.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -54.77 126.66 25.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.41 145.08 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.95 122.87 47.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.46 -151.33 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.56 146.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.18 -54.38 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.74 -55.95 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -90.21 82.43 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -69.4 103.82 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.431 ' CG1' ' HB2' ' A' ' 40' ' ' TRP . 19.7 m -106.68 104.03 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.447 HG12 ' CD2' ' A' ' 41' ' ' HIS . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.431 ' HB2' ' CG1' ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.447 ' CD2' HG12 ' A' ' 39' ' ' VAL . 50.2 m-70 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.46 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.46 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.42 ' N ' HD23 ' A' ' 59' ' ' LEU . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.467 ' C ' ' O ' ' A' ' 60' ' ' CYS . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.506 ' O ' ' N ' ' A' ' 66' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -51.78 144.57 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.26 -104.66 2.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.72 68.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.6 t -60.53 168.7 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -79.78 129.15 34.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.509 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -63.0 124.24 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -39.32 117.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 81.88 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -107.51 161.09 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.824 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -57.74 114.44 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -128.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.42 42.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.29 117.29 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.62 48.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.04 -159.86 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -50.47 146.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.354 . . . . 0.0 111.146 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.5 OUTLIER -117.13 -54.4 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 35.1 m120 -85.5 -41.38 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.772 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 13.2 m95 -79.62 110.83 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.491 ' O ' ' N ' ' A' ' 18' ' ' ASP . 1.8 ttmp? -83.55 28.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 4.2 p -55.68 81.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' LYS . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . 0.405 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.409 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.409 ' HG3' ' C ' ' A' ' 30' ' ' ARG . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.772 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.484 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.444 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 45.5 t30 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.444 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . 0.45 ' CD2' HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . . . . . . . . . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p -50.47 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.56 -156.8 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 99.05 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -116.44 176.18 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -50.57 120.51 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -155.3 133.28 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -111.17 174.92 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.86 59.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -74.71 162.73 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -63.53 129.35 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.93 -83.39 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -118.98 137.12 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.71 82.49 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.43 143.44 51.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.63 119.47 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 p -47.24 -42.92 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -173.93 172.65 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.8 t-20 -35.03 -53.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.422 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 45.9 m95 -81.21 120.5 24.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.497 ' O ' ' CG1' ' A' ' 39' ' ' VAL . 53.3 mttm -70.71 89.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.415 ' CG1' ' HE2' ' A' ' 31' ' ' MET . 45.6 t -76.9 -24.98 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.418 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.416 ' HG ' ' CD2' ' A' ' 58' ' ' PHE . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.454 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.497 ' CG1' ' O ' ' A' ' 16' ' ' LYS . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.422 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.434 ' CD2' HG13 ' A' ' 39' ' ' VAL . 9.1 m170 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . 0.499 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.45 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . 0.499 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.469 HG13 ' N ' ' A' ' 47' ' ' GLY . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.469 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.454 ' CE2' ' HB2' ' A' ' 34' ' ' CYS . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.4 ' C ' ' O ' ' A' ' 63' ' ' CYS . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -72.33 135.63 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.434 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -176.56 -61.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.434 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.5 Cg_endo -69.77 -2.22 9.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -110.35 146.61 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t 56.62 44.8 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -59.53 155.85 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -139.91 149.37 43.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.31 92.12 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -101.52 131.5 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -96.01 155.5 16.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.82 -127.11 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -43.91 99.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.07 104.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -146.43 131.06 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.01 -59.69 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . 0.462 HG12 ' N ' ' A' ' 13' ' ' ASP . 91.9 t -124.74 144.23 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.462 ' N ' HG12 ' A' ' 12' ' ' VAL . 0.6 OUTLIER -60.66 173.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.916 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -40.24 -45.94 2.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.454 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 2.0 p90 -73.46 119.53 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -72.24 114.31 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.55 101.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.491 HD23 ' CG ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.425 ' CG ' HD23 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.454 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.462 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.543 HG23 ' CZ ' ' A' ' 58' ' ' PHE . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.501 ' O ' ' N ' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . 0.501 ' N ' ' O ' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.436 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.543 ' CZ ' HG23 ' A' ' 46' ' ' ILE . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.425 HD23 ' CG ' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.414 ' SG ' ' CD ' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p -72.73 156.94 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . 0.467 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . 133.42 -59.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . 0.467 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.4 Cg_endo -69.85 -1.61 8.83 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 p -114.12 156.09 24.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.9 p -115.67 117.25 29.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 p 39.88 42.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.343 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -86.48 83.32 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.31 130.51 2.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 86.7 p -165.59 139.47 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.8 m -36.24 114.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.16 147.2 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.66 109.71 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.59 163.62 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -174.02 140.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.78 -126.31 2.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 27.1 m -108.43 133.7 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.094 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -80.1 -64.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' ASP . 16.0 m120 -33.73 -49.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . 0.574 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 0.8 OUTLIER -106.57 96.9 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' ASP . 9.8 mmtm -71.52 1.04 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' LYS . 33.0 m 31.19 37.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.503 ' N ' ' O ' ' A' ' 16' ' ' LYS . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . 0.408 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . 0.408 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.464 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' MET . . . . . 0.417 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.432 HD13 ' CG ' ' A' ' 58' ' ' PHE . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . 0.424 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . 0.423 HG12 ' N ' ' A' ' 40' ' ' TRP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . 0.626 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . 0.626 ' CD2' ' C ' ' A' ' 40' ' ' TRP . 15.9 m-70 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' THR . . . . . 0.475 ' HA ' ' CD1' ' A' ' 46' ' ' ILE . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.495 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.462 HG23 ' N ' ' A' ' 49' ' ' ASN . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.462 ' N ' HG23 ' A' ' 48' ' ' ILE . 0.5 OUTLIER -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . 0.432 ' CG ' HD13 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.429 ' C ' ' O ' ' A' ' 63' ' ' CYS . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -42.88 112.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.32 -91.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.28 35.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 116.76 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -60.54 -50.09 74.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -111.79 98.92 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -70.0 151.11 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.14 -171.4 44.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -53.98 119.26 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -134.23 152.29 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.52 167.11 38.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 tpt -137.69 114.3 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 127.68 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -147.24 177.06 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.8 -101.43 1.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 7.2 p -123.51 145.17 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 111.11 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -117.72 -46.74 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -42.17 -58.09 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 1.1 p90 -122.8 172.04 8.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -115.44 112.07 21.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 m -117.26 71.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.831 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ASP . . . . . 0.455 ' O ' ' CG ' ' A' ' 18' ' ' ASP . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.47 ' CD1' HG12 ' A' ' 48' ' ' ILE . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.424 HD11 ' N ' ' A' ' 59' ' ' LEU . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.42 HD21 ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -78.65 102.19 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.55 -83.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.37 13.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.256 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -82.99 121.46 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 p -117.47 110.9 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.529 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 HG22 ' A' ' 43' ' ' THR . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.708 HG22 HD22 ' A' ' 32' ' ' LEU . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.438 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 4.2 p30 -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 66' ' ' LEU . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.589 HH12 HD11 ' A' ' 54' ' ' LEU . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 46' ' ' ILE . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.521 HG22 HD22 ' A' ' 32' ' ' LEU . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.752 HD13 HD21 ' A' ' 32' ' ' LEU . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.589 HD11 HH12 ' A' ' 30' ' ' ARG . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' C ' HD22 ' A' ' 59' ' ' LEU . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' OD1' ' A' ' 26' ' ' ASP . 45.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 59' ' ' LEU . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.648 HG22 HD22 ' A' ' 32' ' ' LEU . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD11 ' A' ' 64' ' ' ILE . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.825 ' HA ' HD13 ' A' ' 64' ' ' ILE . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 61' ' ' PHE . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.952 HD22 HG22 ' A' ' 43' ' ' THR . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.442 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.952 HG22 HD22 ' A' ' 32' ' ' LEU . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 48' ' ' ILE . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG13 HD11 ' A' ' 46' ' ' ILE . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HG ' ' CG ' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 32' ' ' LEU . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HD22 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 46' ' ' ILE . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 32' ' ' LEU . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' C ' HD22 ' A' ' 59' ' ' LEU . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.69 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' OD1' ' N ' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.352 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 43' ' ' THR . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG1' HD11 ' A' ' 46' ' ' ILE . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ASN . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.437 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 43' ' ' THR . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.581 ' CB ' HD11 ' A' ' 46' ' ' ILE . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.829 HG22 HD22 ' A' ' 32' ' ' LEU . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.581 HD11 ' CB ' ' A' ' 41' ' ' HIS . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.577 ' HA ' HD11 ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 43' ' ' THR . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 63' ' ' CYS . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.807 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.544 HG22 HD22 ' A' ' 32' ' ' LEU . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.583 HD13 HD21 ' A' ' 32' ' ' LEU . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG12 ' HB2' ' A' ' 40' ' ' TRP . 34.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.889 ' HB2' HG12 ' A' ' 17' ' ' VAL . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.576 HG21 HD21 ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.671 ' HA ' HD12 ' A' ' 64' ' ' ILE . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' HA ' HD13 ' A' ' 66' ' ' LEU . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 61' ' ' PHE . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 63' ' ' CYS . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.365 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 HG22 ' A' ' 43' ' ' THR . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 78.8 m-70 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 55' ' ' PRO . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.645 ' C ' HD22 ' A' ' 59' ' ' LEU . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 58' ' ' PHE . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 40' ' ' TRP . 19.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.88 0.372 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.623 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.887 ' HB2' HG12 ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 52.2 m80 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 31.1 m-70 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.623 HG22 HD22 ' A' ' 32' ' ' LEU . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.596 HD13 HD21 ' A' ' 32' ' ' LEU . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 63' ' ' CYS . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' HA ' HD13 ' A' ' 64' ' ' ILE . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 17' ' ' VAL . 4.2 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.886 0.374 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 26' ' ' ASP . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.521 HD23 ' H ' ' A' ' 32' ' ' LEU . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.467 ' O ' HG13 ' A' ' 39' ' ' VAL . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.821 HG21 HD21 ' A' ' 54' ' ' LEU . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' CYS . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 63' ' ' CYS . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 59' ' ' LEU . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' OD1' ' A' ' 26' ' ' ASP . 45.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' HG11 ' A' ' 17' ' ' VAL . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.0 m80 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 45' ' ' CYS . . . . . 0.503 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.524 HD13 HD21 ' A' ' 32' ' ' LEU . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' A' ' 64' ' ' ILE . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 61' ' ' PHE . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.584 ' OD1' HD21 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' HD23 ' A' ' 59' ' ' LEU . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.471 ' HA ' HD11 ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 43' ' ' THR . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.624 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.8 p30 -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CB ' HD21 ' A' ' 32' ' ' LEU . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HG11 ' A' ' 39' ' ' VAL . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.948 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB2' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 18' ' ' ASP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' TRP . . . . . 0.543 ' O ' ' CG ' ' A' ' 41' ' ' HIS . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 40' ' ' TRP . 13.2 m80 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 75.9 m-70 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.948 HG22 HD22 ' A' ' 32' ' ' LEU . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 55' ' ' PRO . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 43' ' ' THR . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CG ' HD11 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 64' ' ' ILE . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 61' ' ' PHE . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD2' HG11 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 46' ' ' ILE . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HG ' ' HA ' ' A' ' 59' ' ' LEU . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 ' OD2' ' A' ' 18' ' ' ASP . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' THR . . . . . 0.578 HG21 HD21 ' A' ' 54' ' ' LEU . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 32' ' ' LEU . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 43' ' ' THR . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -75.09 161.56 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -121.05 164.79 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 148.49 18.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -112.13 -29.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 m -152.15 171.4 17.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.52 151.68 6.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.66 154.24 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.02 80.1 6.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -174.99 127.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.08 -96.1 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.64 143.39 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ASN . 1.9 t70 -59.63 -174.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' ASP . 19.0 t-20 -34.23 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' CD1' ' O ' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -35.97 113.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -81.07 107.4 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -111.3 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 HG22 ' A' ' 43' ' ' THR . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' NE1' ' HB2' ' A' ' 15' ' ' TRP . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.708 HG22 HD22 ' A' ' 32' ' ' LEU . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.438 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 4.2 p30 -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.438 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 66' ' ' LEU . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m -60.33 114.85 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.84 167.05 35.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -6.37 18.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.391 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -44.35 100.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 p -65.12 -52.06 57.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.506 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -133.27 160.62 36.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -78.02 128.34 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 153.03 25.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -112.05 93.23 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -117.96 151.61 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 119.56 161.18 11.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.9 ptp 33.08 49.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.29 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.94 32.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -100.04 27.5 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.81 -158.1 23.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.58 -56.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -124.87 -71.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.2 -51.22 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -178.85 5.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -115.7 135.69 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.39 104.87 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.589 HH12 HD11 ' A' ' 54' ' ' LEU . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 46' ' ' ILE . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 20.6 m80 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.521 HG22 HD22 ' A' ' 32' ' ' LEU . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.752 HD13 HD21 ' A' ' 32' ' ' LEU . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.589 HD11 HH12 ' A' ' 30' ' ' ARG . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' C ' HD22 ' A' ' 59' ' ' LEU . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -53.44 150.8 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.88 140.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.14 39.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -169.93 139.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.6 t -70.68 -54.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -74.17 129.1 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.9 -54.99 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.32 -179.35 29.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -87.49 -64.12 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -167.2 111.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.95 46.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -129.57 80.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.24 140.31 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mtm105 -139.24 132.51 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.49 125.77 5.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 13' ' ' ASP . 84.1 t -38.27 156.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.097 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.2 m-20 -81.83 -63.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -47.3 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -108.28 111.44 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.75 101.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' OD1' ' A' ' 26' ' ' ASP . 45.9 t -102.51 96.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 59' ' ' LEU . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 15.7 m80 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.648 HG22 HD22 ' A' ' 32' ' ' LEU . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD11 ' A' ' 64' ' ' ILE . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.825 ' HA ' HD13 ' A' ' 64' ' ' ILE . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 61' ' ' PHE . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t -44.85 132.16 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.46 -145.57 4.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 88.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -157.15 174.03 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 m -138.1 166.48 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.513 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -46.02 -54.72 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -162.67 136.23 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.04 -175.11 29.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -120.08 173.54 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -134.63 108.47 8.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 66.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.69 151.21 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 25.57 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -122.88 171.83 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.24 -143.53 16.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 15' ' ' TRP . 99.9 t -125.25 123.43 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -121.37 -47.2 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -114.4 -27.93 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.783 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 21.7 m95 -57.62 90.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -63.54 74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' TRP . 84.5 t -88.33 78.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.952 HD22 HG22 ' A' ' 43' ' ' THR . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.783 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.952 HG22 HD22 ' A' ' 32' ' ' LEU . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 48' ' ' ILE . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG13 HD11 ' A' ' 46' ' ' ILE . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t -48.1 112.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.72 157.76 30.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.328 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m -121.85 121.24 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 120.75 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -139.04 159.65 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.09 177.2 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.41 -158.61 7.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -146.99 127.59 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -139.92 153.04 46.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 158.12 9.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mtm -117.71 150.97 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -81.88 120.21 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.96 144.23 56.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.13 -174.52 26.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 HG22 ' A' ' 17' ' ' VAL . 19.4 m -78.43 139.16 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.55 -49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -129.85 -56.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -39.67 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.76 ' O ' HG13 ' A' ' 39' ' ' VAL . 68.4 mttt -68.89 83.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 HG11 ' A' ' 12' ' ' VAL . 29.7 m -73.88 -17.46 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 16' ' ' LYS . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' SG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 32' ' ' LEU . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HD22 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t 54.94 40.65 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.57 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -5.71 16.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.2 t -123.49 41.02 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -116.1 107.16 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -144.52 175.48 10.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -162.1 136.59 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.41 81.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -85.3 165.11 17.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -61.06 138.56 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.77 115.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.3 mtm -111.87 91.47 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -41.55 115.85 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -82.98 179.4 7.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.2 -162.34 10.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 15' ' ' TRP . 15.3 m -49.05 174.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -114.69 -49.76 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 26.6 t30 -130.01 47.4 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 14' ' ' ASN . 21.4 m0 -143.21 162.86 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -130.92 44.75 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.28 121.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 46' ' ' ILE . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 32' ' ' LEU . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' C ' HD22 ' A' ' 59' ' ' LEU . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.69 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' CZ ' ' HB3' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t -38.9 146.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.79 173.54 29.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 m -122.28 41.68 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 100.28 6.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -158.06 173.17 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -159.82 118.41 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.26 125.34 1.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.53 136.91 29.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -124.64 174.7 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.24 -49.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.1 mtt 42.38 40.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.58 109.72 20.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -96.7 94.47 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.63 149.43 18.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 15' ' ' TRP . 33.6 t -61.87 116.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.58 -55.91 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.35 -53.6 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.4 m95 -113.71 89.52 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -56.08 102.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 15' ' ' TRP . 58.5 t -96.38 87.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.416 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t -35.04 -41.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.91 156.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -2.26 9.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m 49.86 42.07 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.6 m -40.38 -50.56 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -87.96 99.06 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -58.06 -46.99 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.51 53.26 9.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p 38.46 42.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 t -162.39 131.6 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.53 -128.08 4.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.23 126.61 27.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.305 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -153.56 130.4 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' NE ' ' HA ' ' A' ' 10' ' ' ARG . 14.0 mmp_? -45.39 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.31 138.22 49.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.78 144.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.77 147.15 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -40.36 -47.01 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 69.9 m95 -45.27 120.46 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -68.01 84.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.04 40.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 43' ' ' THR . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.445 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG1' HD11 ' A' ' 46' ' ' ILE . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ASN . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -72.56 88.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.0 -70.72 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -3.67 12.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 m 45.21 46.61 9.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -80.61 44.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.437 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -102.25 93.82 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -164.23 149.95 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.33 -98.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -117.94 89.54 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -127.59 111.87 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.29 -144.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 168.14 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -137.0 106.77 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -144.13 160.87 40.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.52 -89.04 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -106.35 143.44 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -124.41 -46.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 16.6 m120 -60.69 -54.87 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' CE3' ' CZ2' ' A' ' 40' ' ' TRP . 11.9 m0 -91.54 104.69 17.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -65.21 78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.84 119.31 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.437 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 43' ' ' THR . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CZ2' ' CE3' ' A' ' 15' ' ' TRP . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.581 ' CB ' HD11 ' A' ' 46' ' ' ILE . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.829 HG22 HD22 ' A' ' 32' ' ' LEU . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.581 HD11 ' CB ' ' A' ' 41' ' ' HIS . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -57.12 116.92 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.05 121.85 26.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.8 t -64.91 -55.76 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -51.79 -57.58 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.509 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -155.36 130.7 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -143.27 158.16 43.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.0 -127.42 4.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -48.61 107.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -63.61 115.77 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.3 -41.03 0.1 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 123.22 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.69 45.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -62.92 133.73 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -134.12 12.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.3 119.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -127.31 -48.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -38.02 -52.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -101.74 174.19 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -109.11 39.0 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.74 131.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.577 ' HA ' HD11 ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 43' ' ' THR . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 63' ' ' CYS . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.807 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 69' ' ' PRO . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m 60.39 53.95 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.09 140.73 9.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HA ' HD21 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.1 p -47.02 97.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.4 p -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.472 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -59.08 121.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -84.98 47.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.36 -54.83 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -103.91 135.39 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -41.17 -46.28 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 51.17 2.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -121.65 43.51 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -125.66 -34.38 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -65.83 138.54 57.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.31 133.41 2.95 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 14' ' ' ASN . 6.2 p -44.17 133.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.73 43.15 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' H ' HG22 ' A' ' 12' ' ' VAL . 43.2 t-20 -130.37 -48.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.5 m0 -127.71 121.13 29.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -60.55 85.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 15' ' ' TRP . 74.6 t -96.04 111.96 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.544 HG22 HD22 ' A' ' 32' ' ' LEU . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.583 HD13 HD21 ' A' ' 32' ' ' LEU . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.419 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -108.94 103.87 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.63 -101.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.0 m 62.17 54.22 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 m -99.17 107.38 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -89.56 99.67 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -156.9 139.81 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 125.09 2.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -95.05 101.13 12.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -160.6 157.38 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.99 110.84 3.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.77 69.95 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -142.29 124.55 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -75.76 -60.24 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.65 155.97 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' O ' ' A' ' 15' ' ' TRP . 94.1 t -151.08 138.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.09 -59.57 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 15.7 t-20 -133.77 -69.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.825 ' O ' HG11 ' A' ' 12' ' ' VAL . 14.2 t-105 -110.89 -76.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 29.3 mmtt -143.75 124.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG12 ' HB2' ' A' ' 40' ' ' TRP . 34.6 m -122.95 47.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.569 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 16' ' ' LYS . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.889 ' HB2' HG12 ' A' ' 17' ' ' VAL . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.576 HG21 HD21 ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.4 t-20 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.671 ' HA ' HD12 ' A' ' 64' ' ' ILE . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' HA ' HD13 ' A' ' 66' ' ' LEU . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 61' ' ' PHE . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 63' ' ' CYS . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' GLY . 11.8 t -48.24 -46.51 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.56 -78.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.29 47.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.3 t 55.8 41.56 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.4 t -60.71 124.47 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -133.11 98.41 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -126.09 167.76 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -177.96 18.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -138.24 145.23 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -174.56 148.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.47 82.99 1.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 5.8 tpt -173.03 146.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.5 OUTLIER -142.18 156.54 45.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -88.1 179.82 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.57 95.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.479 ' O ' HG13 ' A' ' 12' ' ' VAL . 9.1 p -126.45 125.87 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.7 m-20 -106.95 -72.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.9 p-10 -34.49 -34.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.778 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 1.6 t90 -134.95 102.19 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -97.14 146.98 24.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.35 105.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 HG22 ' A' ' 43' ' ' THR . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.778 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.452 HD12 ' H ' ' A' ' 48' ' ' ILE . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p -40.16 122.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.64 -153.11 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.61 24.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.4 m -54.98 113.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -90.47 108.53 19.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.527 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -100.36 -46.17 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -117.76 -50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.93 50.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p 42.23 42.27 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.801 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -39.58 100.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 141.24 6.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 tpt -106.8 153.99 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -40.63 135.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -93.63 85.3 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' VAL . . . 151.03 169.94 17.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLY . 91.7 t -37.15 144.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -73.87 -52.84 11.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -46.37 -59.42 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 84.5 m95 -130.0 140.03 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -69.28 128.34 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 79.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.425 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 38.2 m80 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 55' ' ' PRO . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.645 ' C ' HD22 ' A' ' 59' ' ' LEU . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 58' ' ' PHE . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -37.8 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -87.74 -67.16 1.31 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 10.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' GLY . 21.1 p -79.75 45.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -172.0 145.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.483 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -105.07 103.7 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.4 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 -155.79 6.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -88.83 131.06 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -78.16 158.67 28.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.62 -159.87 22.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -54.77 126.66 25.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.41 145.08 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.95 122.87 47.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.46 -151.33 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.56 146.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.18 -54.38 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.74 -55.95 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -90.21 82.43 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -69.4 103.82 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 40' ' ' TRP . 19.7 m -106.68 104.03 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.623 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.887 ' HB2' HG12 ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.623 HG22 HD22 ' A' ' 32' ' ' LEU . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.596 HD13 HD21 ' A' ' 32' ' ' LEU . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 63' ' ' CYS . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' HA ' HD13 ' A' ' 64' ' ' ILE . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.585 ' H ' HD12 ' A' ' 64' ' ' ILE . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -51.78 144.57 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.26 -104.66 2.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.72 68.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.6 t -60.53 168.7 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -79.78 129.15 34.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.509 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -63.0 124.24 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -39.32 117.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 81.88 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -107.51 161.09 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.824 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -57.74 114.44 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -128.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.42 42.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.29 117.29 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.62 48.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.04 -159.86 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -50.47 146.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.354 . . . . 0.0 111.146 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.5 OUTLIER -117.13 -54.4 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 35.1 m120 -85.5 -41.38 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.772 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 13.2 m95 -79.62 110.83 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 ttmp? -83.55 28.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 17' ' ' VAL . 4.2 p -55.68 81.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' LYS . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 26' ' ' ASP . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.772 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.821 HG21 HD21 ' A' ' 54' ' ' LEU . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' CYS . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 63' ' ' CYS . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 59' ' ' LEU . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p -50.47 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.56 -156.8 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 99.05 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -116.44 176.18 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -50.57 120.51 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -155.3 133.28 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -111.17 174.92 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.86 59.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -74.71 162.73 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -63.53 129.35 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.93 -83.39 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -118.98 137.12 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.71 82.49 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.43 143.44 51.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.63 119.47 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 p -47.24 -42.92 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -173.93 172.65 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.8 t-20 -35.03 -53.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 45.9 m95 -81.21 120.5 24.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.844 ' O ' HG13 ' A' ' 39' ' ' VAL . 53.3 mttm -70.71 89.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' OD1' ' A' ' 26' ' ' ASP . 45.6 t -76.9 -24.98 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' HG11 ' A' ' 17' ' ' VAL . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 16' ' ' LYS . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 2.0 m80 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 45' ' ' CYS . . . . . 0.503 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.524 HD13 HD21 ' A' ' 32' ' ' LEU . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' A' ' 64' ' ' ILE . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 61' ' ' PHE . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -72.33 135.63 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.446 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -176.56 -61.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.5 Cg_endo -69.77 -2.22 9.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -110.35 146.61 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t 56.62 44.8 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -59.53 155.85 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -139.91 149.37 43.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.31 92.12 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -101.52 131.5 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -96.01 155.5 16.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.82 -127.11 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -43.91 99.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.07 104.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -146.43 131.06 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.01 -59.69 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -124.74 144.23 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.66 173.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -40.24 -45.94 2.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.477 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 2.0 p90 -73.46 119.53 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -72.24 114.31 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.55 101.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.584 ' OD1' HD21 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' HD23 ' A' ' 59' ' ' LEU . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 37.1 m80 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.471 ' HA ' HD11 ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 43' ' ' THR . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.624 ' OD1' ' HB3' ' A' ' 51' ' ' ALA . 1.8 p30 -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ALA . . . . . 0.624 ' HB3' ' OD1' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' HD2' ' N ' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CB ' HD21 ' A' ' 32' ' ' LEU . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p -72.73 156.94 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . 133.42 -59.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.4 Cg_endo -69.85 -1.61 8.83 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 p -114.12 156.09 24.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.9 p -115.67 117.25 29.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 p 39.88 42.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.343 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -86.48 83.32 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.31 130.51 2.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 86.7 p -165.59 139.47 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.8 m -36.24 114.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.16 147.2 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.66 109.71 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.59 163.62 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -174.02 140.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.78 -126.31 2.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' TRP . 27.1 m -108.43 133.7 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -80.1 -64.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' ASP . 16.0 m120 -33.73 -49.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -106.57 96.9 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' ASP . 9.8 mmtm -71.52 1.04 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' LYS . 33.0 m 31.19 37.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HG11 ' A' ' 39' ' ' VAL . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.948 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB2' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 18' ' ' ASP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' TRP . . . . . 0.57 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' HIS . . . . . 0.543 ' CG ' ' O ' ' A' ' 40' ' ' TRP . 13.2 m80 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.948 HG22 HD22 ' A' ' 32' ' ' LEU . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 55' ' ' PRO . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 2.9 p30 -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 43' ' ' THR . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CG ' HD11 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 64' ' ' ILE . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 61' ' ' PHE . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -42.88 112.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.32 -91.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.28 35.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 116.76 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -60.54 -50.09 74.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -111.79 98.92 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -70.0 151.11 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.14 -171.4 44.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -53.98 119.26 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -134.23 152.29 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.52 167.11 38.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 tpt -137.69 114.3 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 127.68 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -147.24 177.06 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.8 -101.43 1.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG21 ' CD1' ' A' ' 15' ' ' TRP . 7.2 p -123.51 145.17 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -117.72 -46.74 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -42.17 -58.09 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 p90 -122.8 172.04 8.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -115.44 112.07 21.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG22 HG11 ' A' ' 12' ' ' VAL . 7.0 m -117.26 71.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD2' HG11 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 46' ' ' ILE . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 ' OD2' ' A' ' 18' ' ' ASP . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 17.9 m80 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' THR . . . . . 0.578 HG21 HD21 ' A' ' 54' ' ' LEU . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 32' ' ' LEU . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 43' ' ' THR . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.426 ' C ' HD23 ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -78.65 102.19 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.55 -83.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.37 13.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.256 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -82.99 121.46 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 p -117.47 110.9 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.529 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 111.116 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 HG22 ' A' ' 43' ' ' THR . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.708 HG22 HD22 ' A' ' 32' ' ' LEU . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.588 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.588 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 66' ' ' LEU . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 t . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.808 0.337 . . . . 0.0 111.117 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.589 HH12 HD11 ' A' ' 54' ' ' LEU . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 46' ' ' ILE . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.521 HG22 HD22 ' A' ' 32' ' ' LEU . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.752 HD13 HD21 ' A' ' 32' ' ' LEU . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.589 HD11 HH12 ' A' ' 30' ' ' ARG . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.582 ' C ' HD22 ' A' ' 59' ' ' LEU . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.582 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' OD1' ' A' ' 26' ' ' ASP . 45.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.845 0.355 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 59' ' ' LEU . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.592 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 13.7 m-70 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.648 HG22 HD22 ' A' ' 32' ' ' LEU . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD11 ' A' ' 64' ' ' ILE . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.825 ' HA ' HD13 ' A' ' 64' ' ' ILE . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 61' ' ' PHE . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.864 0.364 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.952 HD22 HG22 ' A' ' 43' ' ' THR . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.442 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.952 HG22 HD22 ' A' ' 32' ' ' LEU . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 48' ' ' ILE . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.592 HG13 HD11 ' A' ' 46' ' ' ILE . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--O 1.232 0.16 0 CA-C-O 120.83 0.348 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.476 ' HG ' ' CG ' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.476 ' CG ' ' HG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 32' ' ' LEU . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HD22 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.891 0.377 . . . . 0.0 111.085 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 46' ' ' ILE . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 32' ' ' LEU . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.491 ' C ' HD22 ' A' ' 59' ' ' LEU . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.69 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 58.5 t . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.801 0.334 . . . . 0.0 111.094 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.401 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.504 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.838 0.352 . . . . 0.0 111.126 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 43' ' ' THR . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG1' HD11 ' A' ' 46' ' ' ILE . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ASN . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.839 0.352 . . . . 0.0 111.13 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.437 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 43' ' ' THR . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.581 ' CB ' HD11 ' A' ' 46' ' ' ILE . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.829 HG22 HD22 ' A' ' 32' ' ' LEU . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.581 HD11 ' CB ' ' A' ' 41' ' ' HIS . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.798 0.333 . . . . 0.0 111.155 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.577 ' HA ' HD11 ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 43' ' ' THR . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.591 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 63' ' ' CYS . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.807 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.6 t . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.812 0.339 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.597 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.544 HG22 HD22 ' A' ' 32' ' ' LEU . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.583 HD13 HD21 ' A' ' 32' ' ' LEU . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.889 HG12 ' HB2' ' A' ' 40' ' ' TRP . 34.6 m . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.845 0.355 . . . . 0.0 111.089 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.889 ' HB2' HG12 ' A' ' 17' ' ' VAL . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.576 HG21 HD21 ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.671 ' HA ' HD12 ' A' ' 64' ' ' ILE . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.546 ' HA ' HD13 ' A' ' 66' ' ' LEU . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 61' ' ' PHE . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 63' ' ' CYS . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 11.8 t . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.868 0.365 . . . . 0.0 111.102 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 HG22 ' A' ' 43' ' ' THR . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.563 ' N ' HD23 ' A' ' 54' ' ' LEU . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.831 0.348 . . . . 0.0 111.137 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.538 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 24.5 m-70 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 55' ' ' PRO . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.645 ' C ' HD22 ' A' ' 59' ' ' LEU . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 58' ' ' PHE . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 40' ' ' TRP . 19.7 m . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.88 0.372 . . . . 0.0 111.082 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.623 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.887 ' HB2' HG12 ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.623 HG22 HD22 ' A' ' 32' ' ' LEU . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.596 HD13 HD21 ' A' ' 32' ' ' LEU . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 63' ' ' CYS . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.565 ' HA ' HD13 ' A' ' 64' ' ' ILE . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.526 ' O ' HG13 ' A' ' 17' ' ' VAL . 4.2 p . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.886 0.374 . . . . 0.0 111.16 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.41 ' C ' ' HD2' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 26' ' ' ASP . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.521 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.467 HG13 ' O ' ' A' ' 39' ' ' VAL . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.821 HG21 HD21 ' A' ' 54' ' ' LEU . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' CYS . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 63' ' ' CYS . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 59' ' ' LEU . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' OD1' ' A' ' 26' ' ' ASP . 45.6 t . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.815 0.34 . . . . 0.0 111.139 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' HG11 ' A' ' 17' ' ' VAL . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.502 HG12 ' HD2' ' A' ' 41' ' ' HIS . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.1 m170 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . 0.503 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.524 HD13 HD21 ' A' ' 32' ' ' LEU . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' A' ' 64' ' ' ILE . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 61' ' ' PHE . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.807 0.337 . . . . 0.0 111.095 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.584 ' OD1' HD21 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' HD23 ' A' ' 59' ' ' LEU . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.471 ' HA ' HD11 ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 43' ' ' THR . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.76 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CB ' HD21 ' A' ' 32' ' ' LEU . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.774 0.321 . . . . 0.0 111.092 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HG11 ' A' ' 39' ' ' VAL . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.948 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB2' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 18' ' ' ASP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . 0.626 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . 0.626 ' CD2' ' C ' ' A' ' 40' ' ' TRP . 15.9 m-70 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.948 HG22 HD22 ' A' ' 32' ' ' LEU . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 55' ' ' PRO . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 43' ' ' THR . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CG ' HD11 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 64' ' ' ILE . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 61' ' ' PHE . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 7.0 m . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.783 0.325 . . . . 0.0 111.143 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD2' HG11 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 46' ' ' ILE . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . 0.442 ' HG ' ' HA ' ' A' ' 59' ' ' LEU . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 ' OD2' ' A' ' 18' ' ' ASP . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' THR . . . . . 0.578 HG21 HD21 ' A' ' 54' ' ' LEU . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 32' ' ' LEU . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 43' ' ' THR . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.442 ' HA ' ' HG ' ' A' ' 34' ' ' CYS . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 10.7 t -75.09 161.56 29.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.887 -179.743 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.1 p -121.05 164.79 16.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.848 -179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.11 148.49 18.57 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.516 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.3 p -112.13 -29.91 7.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.894 0.378 . . . . 0.0 110.859 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.6 m -152.15 171.4 17.97 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.855 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 156.52 151.68 6.03 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.463 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -170.66 154.24 4.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.743 0.306 . . . . 0.0 110.876 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -80.02 80.1 6.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.808 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 10.3 ttt85 -174.99 127.32 0.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 139.08 -96.1 0.22 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.471 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 10.3 p -71.64 143.39 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.814 0.34 . . . . 0.0 111.16 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.451 ' O ' ' C ' ' A' ' 14' ' ' ASN . 1.9 t70 -59.63 -174.93 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.845 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.451 ' C ' ' O ' ' A' ' 13' ' ' ASP . 19.0 t-20 -34.23 -74.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.553 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 0.2 OUTLIER -35.97 113.54 0.22 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.934 179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.1 ttmt -81.07 107.4 13.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.2 t -111.3 95.27 3.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 36.8 m-20 -134.59 146.53 49.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.881 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -157.99 156.37 31.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.874 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.0 ptmm? -48.61 -36.18 15.21 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.864 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 61.9 m -55.15 -52.33 63.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.861 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 125.03 27.91 1.18 Allowed Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.69 -0.767 . . . . 0.0 112.471 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.413 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 88.4 m -90.18 138.15 31.76 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 0.0 111.106 -179.862 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.404 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.2 OUTLIER -117.06 -9.57 11.05 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.846 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.413 ' O ' ' CG2' ' A' ' 23' ' ' THR . 4.6 p-10 -144.3 160.4 41.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.853 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 18.8 t0 -57.07 101.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.404 ' OD1' ' C ' ' A' ' 27' ' ' ASP . 7.7 t0 -73.76 -52.4 13.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.901 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.11 -23.09 0.1 OUTLIER Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.438 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.7 mm-40 -83.65 132.12 34.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 -179.864 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.465 ' HG3' ' N ' ' A' ' 31' ' ' MET . 10.2 tpp180 -45.04 147.94 0.63 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.858 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.465 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 6.2 mtm -139.36 170.3 16.19 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.896 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.708 HD22 HG22 ' A' ' 43' ' ' THR . 2.3 pt? -147.62 139.46 24.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.923 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -82.49 139.39 33.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.09 179.79 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.409 ' O ' ' C ' ' A' ' 35' ' ' ASP . 5.7 t -74.79 101.99 4.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.89 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.409 ' C ' ' O ' ' A' ' 34' ' ' CYS . 2.2 t70 -37.71 -36.01 0.16 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -59.14 -71.2 0.8 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.484 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.6 p -94.44 -54.87 3.36 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.862 0.363 . . . . 0.0 110.889 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 123.19 43.86 0.34 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.485 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 83.8 t -110.59 129.44 65.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.815 0.34 . . . . 0.0 111.137 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.485 ' NE1' ' HB2' ' A' ' 15' ' ' TRP . 33.2 m95 -75.49 130.39 38.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.933 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 11.4 m-70 -128.88 162.64 27.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.885 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.5 m170 -73.9 110.88 8.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.708 HG22 HD22 ' A' ' 32' ' ' LEU . 30.4 p -52.27 -22.47 4.49 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.15 -179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 16.9 ttm-85 -81.88 -50.44 9.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 68.8 m -54.23 -49.21 70.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.886 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 35.7 pt -58.91 -28.44 38.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.159 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 111.82 56.44 0.47 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.441 179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.0 mt -153.91 141.09 12.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.865 0.364 . . . . 0.0 111.104 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.588 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 0.4 OUTLIER -124.24 150.41 45.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.903 179.902 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.435 ' O ' ' C ' ' A' ' 51' ' ' ALA . 4.5 p30 -41.1 -43.83 2.33 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.883 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.588 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -34.25 -59.9 0.42 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.096 179.872 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.0 t0 -84.05 163.94 19.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.841 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.25 173.89 12.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.102 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 52.6 mt -93.22 144.26 28.04 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.6 0.714 . . . . 0.0 110.92 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.69 132.39 23.34 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.739 2.292 . . . . 0.0 112.336 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 3.3 m -42.79 -42.61 3.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.892 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 92.0 mttt -140.15 140.03 35.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 26.7 t80 -133.27 118.06 18.12 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.868 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 60.6 mt -104.66 143.85 32.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.893 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 24.2 p -91.31 175.4 6.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.903 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.569 ' CE1' ' HG2' ' A' ' 62' ' ' ARG . 3.0 p90 -64.69 -36.34 83.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.86 -179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.569 ' HG2' ' CE1' ' A' ' 61' ' ' PHE . 46.3 mtt180 -64.84 -32.83 74.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.913 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' C ' ' A' ' 64' ' ' ILE . 1.7 m -69.94 -44.01 70.42 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.452 ' C ' ' O ' ' A' ' 63' ' ' CYS . 78.7 mt -33.99 -43.94 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.095 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -94.66 -30.56 14.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.405 HD23 ' O ' ' A' ' 66' ' ' LEU . 2.3 tt -56.97 -44.8 83.0 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.904 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 26.3 m -60.33 114.85 3.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.823 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 177.84 167.05 35.35 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.492 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.79 -6.37 18.44 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.631 2.221 . . . . 0.0 112.391 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 69.9 m -44.35 100.99 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.861 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 63.7 p -65.12 -52.06 57.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.819 -179.792 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.296 0 CA-C-O 119.129 -0.817 . . . . 0.0 112.506 -179.961 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.283 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 99.5 p -133.27 160.62 36.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.878 0.37 . . . . 0.0 110.851 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 p -78.02 128.34 33.72 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.891 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.37 153.03 25.02 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.515 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.5 m -112.05 93.23 4.35 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.889 0.376 . . . . 0.0 110.832 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 17.3 m -117.96 151.61 37.11 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.463 ' O ' ' C ' ' A' ' 8' ' ' MET . . . 119.56 161.18 11.53 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.49 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.463 ' C ' ' O ' ' A' ' 7' ' ' GLY . 7.9 ptp 33.08 49.66 0.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.71 0.29 . . . . 0.0 110.879 -179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -94.94 32.95 1.57 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.91 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 1.6 tpm_? -100.04 27.5 5.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.892 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 93.81 -158.1 23.19 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 57.7 t -106.58 -56.08 5.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.834 0.35 . . . . 0.0 111.159 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 46.9 m-20 -124.87 -71.78 0.7 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.834 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 28.6 t30 -116.2 -51.22 2.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.896 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 0.2 OUTLIER -89.76 -178.85 5.61 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.924 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -115.7 135.69 53.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.857 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 17.3 t -132.39 104.87 8.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.117 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -148.96 141.09 23.93 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.811 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.9 t -150.84 158.24 43.91 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.28 -12.93 1.8 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.918 179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 79.7 m -76.6 -41.54 45.77 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 112.8 24.4 4.94 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.519 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.0 m -80.57 111.71 17.24 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.837 0.351 . . . . 0.0 111.155 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 2.0 ptpt -74.56 -45.97 41.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -125.46 160.15 30.19 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.845 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -61.11 102.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.07 -58.0 6.46 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 171.51 39.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.455 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.9 mm-40 -131.65 144.42 51.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.832 0.349 . . . . 0.0 110.889 -179.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.589 HH12 HD11 ' A' ' 54' ' ' LEU . 21.5 ttt-85 -54.95 137.34 46.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 -179.904 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.3 mtm -139.02 159.46 42.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.752 HD21 HD13 ' A' ' 46' ' ' ILE . 1.8 pt? -139.12 136.37 35.08 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.939 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -72.09 154.98 40.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.055 179.818 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 0.9 OUTLIER -97.68 114.8 26.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.88 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 77.4 m-20 -49.55 -35.1 19.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.836 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -53.96 -72.83 0.48 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.477 -179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 8.7 p -98.7 -47.97 5.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.868 0.365 . . . . 0.0 110.859 -179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.45 33.25 0.89 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.48 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 87.9 t -104.95 150.6 7.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.797 0.332 . . . . 0.0 111.193 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.561 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 22.9 m95 -100.69 145.69 28.13 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 18.7 m-70 -141.4 160.96 39.04 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -61.54 107.08 0.74 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.874 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.521 HG22 HD22 ' A' ' 32' ' ' LEU . 12.9 p -42.4 -29.94 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.134 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 12.1 ttt180 -77.7 -50.0 13.32 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.832 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 56.7 m -53.88 -30.97 48.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.752 HD13 HD21 ' A' ' 32' ' ' LEU . 17.8 pt -82.1 -18.62 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.112 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 102.23 63.27 0.73 Allowed Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.682 -0.771 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.2 mt -155.83 120.71 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.879 0.371 . . . . 0.0 111.105 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -109.59 163.83 13.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 8.3 p30 -50.88 -24.3 3.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.917 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.04 38.28 0.8 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.13 179.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -171.17 123.34 0.58 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -63.15 177.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.103 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.589 HD11 HH12 ' A' ' 30' ' ' ARG . 82.8 mt -89.31 143.08 30.35 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.578 0.704 . . . . 0.0 110.923 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 134.63 28.43 Favored 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.728 2.285 . . . . 0.0 112.34 179.856 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 13.2 t -42.67 -42.9 3.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.87 -179.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -132.86 130.47 39.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.921 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.582 ' C ' HD22 ' A' ' 59' ' ' LEU . 72.7 t80 -123.71 134.77 53.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.93 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.582 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.6 mm? -124.92 123.77 40.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.946 -179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.427 ' O ' ' N ' ' A' ' 63' ' ' CYS . 5.0 p -73.88 145.84 44.53 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.843 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -38.1 -56.7 1.14 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -46.53 -38.13 8.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.869 -179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.493 ' O ' ' N ' ' A' ' 66' ' ' LEU . 4.0 m -79.17 -43.74 23.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.876 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.424 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.4 mm -36.11 -42.07 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.117 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.4 mp0 -83.91 -33.47 24.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.493 ' N ' ' O ' ' A' ' 63' ' ' CYS . 2.0 tt -57.24 -44.2 83.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 8.1 t -53.44 150.8 6.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -41.88 140.05 1.86 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.472 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 139.14 39.45 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.688 2.259 . . . . 0.0 112.339 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 44.2 t -169.93 139.56 1.91 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.895 -179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 33.6 t -70.68 -54.5 11.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.86 -179.8 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.471 -179.976 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.508 -0.237 . . . . 0.0 112.508 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -74.17 129.1 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.904 0.383 . . . . 0.0 110.852 -179.725 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -92.9 -54.99 3.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.873 -179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 153.32 -179.35 29.76 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.482 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.8 t -87.49 -64.12 1.2 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.868 0.366 . . . . 0.0 110.866 -179.719 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 83.6 p -167.2 111.55 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -165.95 46.27 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.472 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 4.2 mmt -129.57 80.98 1.99 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.758 0.313 . . . . 0.0 110.837 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -139.24 140.31 37.68 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.861 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 9.9 mtm105 -139.24 132.51 29.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.86 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 104.49 125.77 5.66 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.499 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.465 HG12 ' N ' ' A' ' 13' ' ' ASP . 84.1 t -38.27 156.04 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.851 0.358 . . . . 0.0 111.097 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.465 ' N ' HG12 ' A' ' 12' ' ' VAL . 1.2 m-20 -81.83 -63.04 1.47 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 19.9 t-20 -47.3 -69.69 0.12 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.868 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 79.9 m95 -108.28 111.44 23.39 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 3.5 mtpm? -59.75 101.65 0.12 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.916 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.557 HG21 ' OD1' ' A' ' 26' ' ' ASP . 45.9 t -102.51 96.24 4.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.125 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.84 133.58 46.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.889 179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -119.19 179.56 4.14 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.911 -179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -90.63 -35.63 14.87 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.935 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 29.1 p -66.79 -46.1 76.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 158.97 -36.73 0.5 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.486 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 21.3 m -53.47 110.32 0.55 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.874 0.369 . . . . 0.0 111.139 -179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -120.23 21.5 11.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.89 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.9 p-10 -135.11 172.72 12.61 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.877 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.557 ' OD1' HG21 ' A' ' 17' ' ' VAL . 1.0 OUTLIER -89.88 103.29 15.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.65 -65.12 1.02 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 163.8 36.1 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.512 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 36.8 mt-10 -122.64 154.61 37.79 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.813 0.34 . . . . 0.0 110.889 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.4 ttt180 -61.0 131.82 51.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.867 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 1.9 mtt -135.89 178.72 6.83 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.648 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -160.34 135.82 8.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.905 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -77.75 138.83 39.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.089 179.818 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.413 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -77.78 110.74 12.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.889 -179.917 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.8 m-20 -47.73 -38.51 15.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.894 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.421 ' HA3' HD23 ' A' ' 59' ' ' LEU . . . -51.16 -75.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.526 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 23.1 p -93.5 -47.08 7.02 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.862 0.363 . . . . 0.0 110.894 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 119.17 35.69 0.92 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.47 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 64.7 t -110.77 138.7 37.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 111.112 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.592 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 84.5 m95 -74.1 161.96 29.49 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.924 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.592 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 13.7 m-70 -162.33 149.85 14.0 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.84 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -65.89 114.51 5.16 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.877 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.648 HG22 HD22 ' A' ' 32' ' ' LEU . 70.5 p -53.88 -30.37 45.56 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.161 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -79.25 -34.91 42.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 63.6 m -68.54 -51.09 46.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 41.2 pt -56.99 -29.19 30.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.131 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 122.16 38.88 0.58 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.537 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.4 ' N ' ' O ' ' A' ' 43' ' ' THR . 4.5 mt -140.99 112.4 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.835 0.35 . . . . 0.0 111.12 -179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 4.6 m-80 -68.99 170.6 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.864 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 26.3 p-10 -89.89 43.49 1.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.958 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -129.46 -45.02 1.22 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.067 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 42.2 t0 -82.42 170.28 15.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.846 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -79.44 170.69 16.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.051 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 17.5 mt -92.77 146.44 32.19 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.595 0.712 . . . . 0.0 110.932 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.416 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.71 131.99 22.47 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.694 2.263 . . . . 0.0 112.353 179.822 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 55' ' ' PRO . 18.1 m -37.28 -43.65 0.55 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.836 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 1.8 mptm? -133.9 144.8 49.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.899 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 5.7 t80 -134.08 116.45 15.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.624 ' O ' HD11 ' A' ' 64' ' ' ILE . 42.0 mt -113.59 113.16 24.69 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.948 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.759 ' O ' HD12 ' A' ' 64' ' ' ILE . 24.0 p -60.91 142.19 56.56 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.895 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.825 ' HA ' HD13 ' A' ' 64' ' ' ILE . 60.0 m-85 -34.07 -48.23 0.31 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.2 mmt180 -49.72 -59.43 3.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.852 -179.889 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.501 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -43.79 -65.78 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.876 -179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.825 HD13 ' HA ' ' A' ' 61' ' ' PHE . 4.6 mp -35.32 -34.63 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.145 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.427 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.4 mt-10 -88.12 -38.57 15.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.501 ' N ' ' O ' ' A' ' 63' ' ' CYS . 16.1 tp -60.86 -43.52 98.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.928 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 20.3 t -44.85 132.16 6.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.834 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -145.46 -145.57 4.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.517 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.85 88.52 0.55 Allowed 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.331 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 17.4 m -157.15 174.03 16.09 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.1 m -138.1 166.48 24.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.829 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.168 -0.796 . . . . 0.0 112.513 -179.969 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.505 -0.238 . . . . 0.0 112.505 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.0 m -46.02 -54.72 7.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.915 0.388 . . . . 0.0 110.879 -179.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.2 t -162.67 136.23 6.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.854 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -101.04 -175.11 29.1 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.506 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.8 p -120.08 173.54 7.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.953 0.406 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.7 t -134.63 108.47 8.06 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.856 -179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.13 66.99 0.02 OUTLIER Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.44 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -153.69 151.21 29.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.805 0.336 . . . . 0.0 110.817 -179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -108.4 25.57 11.51 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.88 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 53.0 mtm180 -122.88 171.83 8.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 101.24 -143.53 16.18 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.486 -179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.559 HG13 ' HB2' ' A' ' 15' ' ' TRP . 99.9 t -125.25 123.43 65.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-O 120.792 0.33 . . . . 0.0 111.169 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 25.7 t0 -121.37 -47.2 2.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.921 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -114.4 -27.93 7.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.783 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 21.7 m95 -57.62 90.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.5 mmmm -63.54 74.83 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.848 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.441 ' N ' ' O ' ' A' ' 15' ' ' TRP . 84.5 t -88.33 78.62 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.122 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -133.72 99.07 4.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.87 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 34.3 t -101.22 160.67 14.21 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.898 -179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.14 -36.07 72.43 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.937 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 69.7 m -48.44 -42.47 32.44 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 121.03 36.35 0.77 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 82.0 m -108.71 139.18 43.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.367 . . . . 0.0 111.149 -179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.96 -21.07 11.3 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.88 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.42 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.1 t70 -135.08 161.15 36.13 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.898 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.404 ' HA ' ' CE ' ' A' ' 31' ' ' MET . 1.0 OUTLIER -56.02 111.23 0.89 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 35.0 p-10 -93.02 41.64 1.08 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.866 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 81.42 -39.03 2.47 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.531 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -73.05 143.69 47.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.86 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.9 ttt85 -70.78 153.93 42.31 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.857 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.404 ' CE ' ' HA ' ' A' ' 26' ' ' ASP . 24.6 mtm -144.12 166.47 24.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.834 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.952 HD22 HG22 ' A' ' 43' ' ' THR . 2.4 pt? -142.15 139.92 32.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -71.3 128.53 36.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.084 179.805 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.414 ' O ' ' N ' ' A' ' 38' ' ' GLY . 0.8 OUTLIER -70.76 111.08 5.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.842 -179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -46.22 -38.47 8.46 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.877 179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -50.0 -72.1 0.53 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.477 -179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.5 p -99.95 -47.09 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.898 0.38 . . . . 0.0 110.884 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.414 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 117.54 59.47 0.29 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.52 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.5 t -132.58 141.88 43.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.81 0.338 . . . . 0.0 111.097 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.783 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 78.1 m95 -77.36 142.67 39.21 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.442 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 14.3 m-70 -145.12 148.77 33.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.844 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.474 ' O ' ' N ' ' A' ' 45' ' ' CYS . 26.6 m80 -65.35 97.93 0.31 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.882 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.952 HG22 HD22 ' A' ' 32' ' ' LEU . 62.0 p -41.49 -25.06 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.146 -179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.433 ' N ' ' O ' ' A' ' 42' ' ' HIS . 9.4 ttt180 -79.32 -39.13 33.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.831 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.474 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.7 p -74.12 -37.85 63.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.846 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.592 HD11 HG13 ' A' ' 48' ' ' ILE . 9.7 pt -65.44 -37.39 79.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.093 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.476 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 128.35 58.97 0.11 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.592 HG13 HD11 ' A' ' 46' ' ' ILE . 8.1 mm -134.44 82.12 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.827 0.346 . . . . 0.0 111.115 -179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 23.6 m120 -55.26 170.23 0.23 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 15.0 m-80 -85.35 43.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.901 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -131.91 -36.15 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.108 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -95.35 158.41 15.47 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.39 174.52 11.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.098 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 60.6 mt -77.62 128.13 80.59 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.589 0.709 . . . . 0.0 110.923 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 129.42 17.55 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.716 2.278 . . . . 0.0 112.326 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 20.1 m -44.81 -41.23 6.81 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.854 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.7 ptpp? -139.1 147.52 42.07 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -137.02 142.14 42.49 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.866 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 7.0 mp -116.96 126.64 53.23 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 27.5 p -70.06 153.06 43.66 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -43.57 -51.69 6.7 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.868 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 13.5 mmm180 -51.1 -52.68 41.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.86 -179.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.453 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.7 m -48.52 -53.6 17.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 65.5 mt -34.27 -35.71 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.125 179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.446 ' N ' ' O ' ' A' ' 63' ' ' CYS . 44.2 mt-10 -94.37 -37.11 11.62 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.453 ' N ' ' O ' ' A' ' 63' ' ' CYS . 25.3 tp -56.69 -44.86 81.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 15.8 t -48.1 112.2 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.828 -179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -168.72 157.76 30.04 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.489 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 93.84 0.53 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.64 2.227 . . . . 0.0 112.328 -179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 26.9 m -121.85 121.24 36.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -159.97 120.75 3.06 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 CA-C-O 119.138 -0.812 . . . . 0.0 112.493 -179.997 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.286 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.4 m -139.04 159.65 41.65 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.8 p -99.09 177.2 5.3 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.894 -179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -143.41 -158.61 7.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.48 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.2 t -146.99 127.59 14.19 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.918 0.389 . . . . 0.0 110.88 -179.731 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.8 m -139.92 153.04 46.84 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.853 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.27 158.12 9.79 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 26.6 mtm -117.71 150.97 38.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 13.9 tm-20 -81.88 120.21 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.862 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 ptp180 -65.96 144.23 56.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 147.13 -174.52 26.9 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.499 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.41 HG11 HG22 ' A' ' 17' ' ' VAL . 19.4 m -78.43 139.16 18.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.845 0.355 . . . . 0.0 111.124 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -96.55 -49.34 5.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.865 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 6.7 m120 -129.85 -56.44 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.901 -179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 8.3 m-90 -39.67 100.21 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.896 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.76 ' O ' HG13 ' A' ' 39' ' ' VAL . 68.4 mttt -68.89 83.92 0.31 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.875 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.41 HG22 HG11 ' A' ' 12' ' ' VAL . 29.7 m -73.88 -17.46 17.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.111 179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -49.01 99.87 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.438 ' SG ' ' ND1' ' A' ' 41' ' ' HIS . 50.2 t -90.8 160.91 15.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.915 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 2.1 pttp -47.62 -33.09 6.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 58.4 m -60.97 -48.8 80.14 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.52 31.2 0.62 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.778 -0.725 . . . . 0.0 112.533 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.8 m -104.39 100.75 10.45 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 120.813 0.34 . . . . 0.0 111.12 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -93.42 31.5 1.51 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.868 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -150.73 172.92 14.82 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -111.04 100.14 8.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.844 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 36.9 t70 -79.75 10.02 4.53 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 80.35 24.72 58.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.474 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 37.4 mm-40 -103.18 136.87 42.16 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 17.7 ttt85 -42.36 130.8 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.856 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 22.1 mtm -145.88 175.09 10.68 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.476 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -156.93 133.66 10.12 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.924 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -79.31 141.51 36.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 179.804 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -69.44 116.95 10.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.871 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -44.66 -35.16 2.5 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -76.94 -86.24 0.4 Allowed Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.2 m -60.07 -70.48 0.17 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.853 0.358 . . . . 0.0 110.852 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 127.38 45.66 0.21 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.478 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.76 HG13 ' O ' ' A' ' 16' ' ' LYS . 66.7 t -117.96 133.56 64.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.799 0.333 . . . . 0.0 111.102 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 33.7 m95 -79.78 125.99 30.38 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.916 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.438 ' ND1' ' SG ' ' A' ' 19' ' ' CYS . 15.8 m-70 -120.06 152.55 37.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.858 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.406 ' O ' ' N ' ' A' ' 44' ' ' ARG . 24.6 m80 -69.25 99.69 1.2 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.476 HG22 HD22 ' A' ' 32' ' ' LEU . 19.2 p -38.76 -30.84 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.129 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.5 ttt180 -75.32 -60.94 2.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.882 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -47.28 -34.77 7.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.844 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.465 HG13 ' N ' ' A' ' 47' ' ' GLY . 37.3 pt -79.13 -31.78 14.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.148 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.465 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 147.99 -51.86 0.55 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.51 179.942 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.428 ' CD1' ' HD3' ' A' ' 55' ' ' PRO . 5.3 mt -53.78 102.32 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.855 0.36 . . . . 0.0 111.159 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -81.66 -178.21 6.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.925 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 56.1 m-80 -56.79 -43.24 80.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.862 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -79.83 69.45 6.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 36.4 t70 -173.0 170.38 4.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.877 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -113.0 167.95 10.1 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.056 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 48.6 mt -89.41 128.87 49.43 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.622 0.725 . . . . 0.0 110.934 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.428 ' HD3' ' CD1' ' A' ' 48' ' ' ILE . 54.5 Cg_endo -69.78 148.72 65.59 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.668 2.245 . . . . 0.0 112.334 179.845 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 2.9 m -55.93 -42.42 76.1 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.878 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 21.5 mttm -137.89 131.69 31.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.925 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.436 ' C ' HD22 ' A' ' 59' ' ' LEU . 8.5 t80 -126.0 140.58 52.49 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.876 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.436 HD22 ' C ' ' A' ' 58' ' ' PHE . 4.4 mm? -115.16 118.67 33.97 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.877 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.415 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.5 p -71.73 152.49 42.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.895 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.43 ' O ' ' C ' ' A' ' 62' ' ' ARG . 52.3 m-85 -37.33 -67.32 0.19 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.851 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.43 ' C ' ' O ' ' A' ' 61' ' ' PHE . 15.9 mmp_? -36.28 -43.0 0.34 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.452 ' O ' ' N ' ' A' ' 66' ' ' LEU . 34.8 m -73.38 -62.32 1.52 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.882 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.446 ' C ' ' O ' ' A' ' 63' ' ' CYS . 74.7 mt -34.03 -36.4 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.439 ' N ' ' O ' ' A' ' 63' ' ' CYS . 7.6 mm-40 -86.39 -43.55 12.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.897 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 6.9 tp -54.26 -41.81 69.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.923 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.7 t 54.94 40.65 32.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.872 -179.916 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -112.75 84.57 0.36 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.49 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.83 -5.71 16.89 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.638 2.226 . . . . 0.0 112.367 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 33.2 t -123.49 41.02 3.58 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -116.1 107.16 14.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.157 -0.802 . . . . 0.0 112.476 -180.0 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 85.7 p -144.52 175.48 10.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.887 0.375 . . . . 0.0 110.85 -179.755 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.0 m -162.1 136.59 6.83 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -64.41 81.88 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 m -85.3 165.11 17.58 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.728 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.4 m -61.06 138.56 58.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.846 -179.796 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.77 115.72 1.87 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 28.3 mtm -111.87 91.47 3.67 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.758 0.313 . . . . 0.0 110.915 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 6.0 mm-40 -41.55 115.85 0.69 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.933 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 2.9 mpt_? -82.98 179.4 7.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.842 -179.86 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -150.2 -162.34 10.46 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG21 ' O ' ' A' ' 15' ' ' TRP . 15.3 m -49.05 174.09 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.816 0.341 . . . . 0.0 111.145 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -114.69 -49.76 2.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.472 ' O ' ' CD1' ' A' ' 15' ' ' TRP . 26.6 t30 -130.01 47.4 2.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.836 -179.842 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.472 ' CD1' ' O ' ' A' ' 14' ' ' ASN . 21.4 m0 -143.21 162.86 34.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.932 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 mtpm? -130.92 44.75 2.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.838 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.9 t -45.28 121.43 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.085 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.466 ' O ' ' CE1' ' A' ' 41' ' ' HIS . 38.8 t70 -158.14 108.19 2.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.836 179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.2 t -96.07 171.66 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.438 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 14.5 ptpt -83.78 -38.41 21.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.438 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 27.9 p -60.57 -42.33 96.41 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.908 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.04 -34.2 0.73 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.502 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 29.5 m -60.79 125.99 25.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.84 0.352 . . . . 0.0 111.158 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -131.28 17.46 4.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.902 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 23.4 t70 -136.07 150.2 49.05 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -65.82 117.06 7.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.878 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 -113.12 -60.19 1.92 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.908 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -170.7 -30.56 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.479 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -74.72 132.69 41.85 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.846 0.355 . . . . 0.0 110.841 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 22.5 tpt180 -52.26 153.38 2.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.85 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.9 mtm -146.34 160.91 41.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.867 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.522 HD21 HD13 ' A' ' 46' ' ' ILE . 1.4 pt? -143.73 131.78 21.72 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.904 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -90.61 145.58 24.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.111 179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.7 t -62.42 114.35 3.46 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.874 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.1 t0 -41.84 -36.72 1.1 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.831 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -73.48 -77.47 0.61 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.491 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.1 m -68.03 -69.77 0.3 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.848 0.356 . . . . 0.0 110.851 -179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.05 50.32 0.21 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.482 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 77.7 t -119.04 111.57 34.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.862 0.363 . . . . 0.0 111.128 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 51.1 m95 -62.19 152.18 33.93 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.887 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.466 ' CE1' ' O ' ' A' ' 18' ' ' ASP . 12.2 m-70 -152.57 144.9 23.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 12.1 m170 -56.38 107.16 0.34 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.88 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.444 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 33.0 p -40.0 -38.79 0.76 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.161 -179.857 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 25.2 tpt85 -69.55 -59.14 3.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.855 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 22.9 m -45.5 -51.03 12.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.854 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.522 HD13 HD21 ' A' ' 32' ' ' LEU . 14.0 pt -58.2 -25.49 26.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.401 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 111.34 45.43 0.86 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.475 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 3.9 mt -144.42 111.0 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-O 120.839 0.352 . . . . 0.0 111.092 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 25.6 m-20 -91.19 164.23 13.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.909 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 64.4 m-80 -45.7 -46.01 14.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -40.22 -48.35 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.111 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 80.1 m-20 -89.27 143.9 26.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -85.06 171.01 12.39 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.118 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 10.8 mt -79.38 129.89 70.5 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.598 0.714 . . . . 0.0 110.929 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.419 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.77 123.69 10.34 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.692 2.261 . . . . 0.0 112.337 179.831 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 55' ' ' PRO . 8.2 t -37.04 -40.78 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.857 -179.843 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 20.9 mtpp -128.47 140.84 51.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.923 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.491 ' C ' HD22 ' A' ' 59' ' ' LEU . 66.4 t80 -139.81 118.55 12.39 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.69 HD22 ' N ' ' A' ' 59' ' ' LEU . 1.1 mm? -103.57 123.4 46.87 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.92 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.2 p -62.92 158.71 18.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -38.43 -61.73 0.66 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.817 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.451 ' HB3' ' CZ ' ' A' ' 62' ' ' ARG . 14.0 mtp-105 -49.57 -53.83 21.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.471 ' O ' ' N ' ' A' ' 65' ' ' GLU . 1.8 m -53.96 -61.91 2.0 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.442 ' C ' ' O ' ' A' ' 63' ' ' CYS . 86.2 mt -33.91 -34.99 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.13 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.471 ' N ' ' O ' ' A' ' 63' ' ' CYS . 37.4 mt-10 -86.51 -46.7 9.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.417 ' N ' ' O ' ' A' ' 63' ' ' CYS . 77.8 mt -53.41 -44.38 68.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 33.0 t -38.9 146.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.836 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 100.79 173.54 29.27 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.528 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.77 90.66 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.64 2.226 . . . . 0.0 112.38 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 37.2 m -122.28 41.68 3.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.84 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 12.3 t -121.48 100.28 6.94 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.834 -179.813 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 CA-C-O 119.13 -0.817 . . . . 0.0 112.482 -179.962 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.3 m -158.06 173.17 17.15 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.89 0.376 . . . . 0.0 110.804 -179.744 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.8 t -159.82 118.41 2.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.26 125.34 1.66 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.508 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.4 p -142.53 136.91 29.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.862 0.363 . . . . 0.0 110.881 -179.724 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 34.3 m -124.64 174.7 7.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 -179.795 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.24 -49.78 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.801 -0.714 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 37.1 mtt 42.38 40.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.75 0.309 . . . . 0.0 110.881 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -110.58 109.72 20.14 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.871 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -96.7 94.47 7.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.828 -179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -115.63 149.43 18.84 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.486 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.514 HG12 ' H ' ' A' ' 15' ' ' TRP . 33.6 t -61.87 116.74 2.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.889 0.376 . . . . 0.0 111.134 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -63.58 -55.91 20.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.868 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 2.8 m120 -48.35 -53.6 16.92 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.536 ' O ' HG23 ' A' ' 17' ' ' VAL . 28.4 m95 -113.71 89.52 3.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.897 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 mtpm? -56.08 102.31 0.07 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.93 179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.536 HG23 ' O ' ' A' ' 15' ' ' TRP . 58.5 t -96.38 87.95 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.094 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -122.57 143.21 49.88 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.841 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -143.83 174.75 10.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.404 ' HD2' ' C ' ' A' ' 20' ' ' LYS . 0.0 OUTLIER -90.01 -33.38 16.38 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.936 179.917 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.7 p -52.66 -46.84 67.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.27 37.25 0.35 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.489 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 34.3 m -107.3 137.17 45.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.816 0.341 . . . . 0.0 111.146 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.401 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -117.0 -15.3 10.59 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.908 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -132.96 155.49 49.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.891 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -67.96 102.75 1.34 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.9 t0 -85.02 40.43 0.82 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.1 42.0 99.63 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.446 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -130.95 144.71 51.68 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.853 0.359 . . . . 0.0 110.905 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -62.29 153.11 31.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.852 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 18.2 mtm -155.3 167.97 28.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.598 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.2 pt? -144.46 130.87 19.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.935 179.968 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.24 141.58 33.99 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.075 179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.463 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -72.06 103.6 3.32 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.463 ' C ' ' O ' ' A' ' 34' ' ' CYS . 9.0 m-20 -33.51 -42.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.874 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -61.67 -80.65 0.1 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.529 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 m -75.05 -63.71 1.21 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.864 -179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.47 40.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.492 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 66.3 t -106.03 122.43 59.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-O 120.82 0.343 . . . . 0.0 111.097 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.416 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 69.9 m95 -70.58 125.61 27.29 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.935 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -117.02 144.09 44.99 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.879 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.3 m170 -68.33 102.86 1.48 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.467 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 69.0 p -38.54 -44.7 0.98 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.139 -179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 8.8 ptm180 -64.37 -45.16 88.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.899 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 41.4 m -55.74 -51.0 68.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.86 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.504 ' CD1' HG12 ' A' ' 48' ' ' ILE . 39.3 pt -61.51 -24.78 34.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.139 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.449 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 138.77 -42.03 1.3 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.476 179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.504 HG12 ' CD1' ' A' ' 46' ' ' ILE . 40.2 mm -33.44 150.74 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.863 0.363 . . . . 0.0 111.145 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.9 m-80 -132.18 177.94 7.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -71.88 -28.9 63.83 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.916 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -84.81 38.13 0.69 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.096 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 52' ' ' ASP . 3.8 p-10 -172.06 145.68 1.84 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.885 179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -81.41 -176.36 5.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.093 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.7 mp -92.0 147.45 34.85 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.585 0.707 . . . . 0.0 110.889 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 155.11 66.92 Favored 'Trans proline' 0 N--CA 1.465 -0.165 0 C-N-CA 122.718 2.279 . . . . 0.0 112.346 179.86 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.7 t -71.17 -39.9 71.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 12.2 pttp -137.88 129.98 28.88 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.929 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.598 ' CG ' HD11 ' A' ' 32' ' ' LEU . 6.7 t80 -137.05 134.69 36.81 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.861 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.754 HD22 ' SG ' ' A' ' 63' ' ' CYS . 29.1 mt -114.52 137.93 51.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.912 -179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 28.4 p -68.33 163.99 21.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.842 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 36.0 p90 -49.63 -34.8 19.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.878 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 2.2 ttm-85 -68.76 -41.02 79.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.754 ' SG ' HD22 ' A' ' 59' ' ' LEU . 3.7 m -66.67 -15.87 63.81 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.846 -179.9 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 30.3 mm -65.96 -42.31 91.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.146 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -95.2 -36.25 11.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.885 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' O ' ' C ' ' A' ' 67' ' ' SER . 4.4 tp -60.66 -42.17 96.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.916 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 66' ' ' LEU . 40.2 t -35.04 -41.2 0.14 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.891 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -45.91 156.45 0.45 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 -2.26 9.9 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.657 2.238 . . . . 0.0 112.352 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.4 m 49.86 42.07 23.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.841 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.439 ' O ' ' C ' ' A' ' 72' ' ' GLY . 17.6 m -40.38 -50.56 2.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.832 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 71' ' ' SER . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.486 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.509 -0.237 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.2 t -87.96 99.06 11.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.842 -179.743 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 58.1 p -58.06 -46.99 84.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.833 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 46.51 53.26 9.93 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.483 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.2 p 38.46 42.19 0.53 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.91 0.386 . . . . 0.0 110.885 -179.737 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 43.3 t -162.39 131.6 4.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.883 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -91.53 -128.08 4.11 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.498 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.3 tpt -63.23 126.61 27.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.742 0.305 . . . . 0.0 110.865 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 20.8 tt0 -153.56 130.4 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.842 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.428 ' HA ' ' NE ' ' A' ' 10' ' ' ARG . 14.0 mmp_? -45.39 100.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.912 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.31 138.22 49.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.471 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 12.9 p -100.78 144.11 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.817 0.341 . . . . 0.0 111.121 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -64.77 147.15 53.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.884 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 14.2 t-20 -40.36 -47.01 2.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.445 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 69.9 m95 -45.27 120.46 2.48 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 15.0 mtpp -68.01 84.99 0.23 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.916 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 34.6 m -83.04 40.95 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.126 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 29.3 t0 -75.65 120.48 21.11 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.88 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -103.69 174.29 5.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.868 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.432 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 7.8 ptmm? -82.27 -40.26 21.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.925 179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.432 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 28.3 p -52.03 -47.44 65.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.75 32.98 0.19 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.498 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 86.6 m -96.22 139.91 31.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.87 0.367 . . . . 0.0 111.123 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 3.9 ptmm? -102.07 -47.98 4.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -119.84 176.51 5.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.891 179.866 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -58.38 125.4 23.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.868 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -97.45 -46.81 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.867 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 166.13 -36.99 0.25 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.501 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.453 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 6.6 mm-40 -73.41 145.91 45.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.838 0.351 . . . . 0.0 110.861 -179.87 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.442 ' HG2' ' N ' ' A' ' 31' ' ' MET . 44.5 ttm-85 -57.98 154.96 11.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.886 -179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.442 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 13.1 mtt -141.44 151.4 43.36 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.487 HD22 HG22 ' A' ' 43' ' ' THR . 2.1 pt? -131.95 136.05 47.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.884 -179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.32 136.87 44.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.094 179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.441 ' O ' ' C ' ' A' ' 35' ' ' ASP . 4.5 t -71.09 102.05 2.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.88 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.441 ' C ' ' O ' ' A' ' 34' ' ' CYS . 5.6 t70 -35.29 -38.57 0.1 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.866 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.69 -70.08 1.06 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.48 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 4.7 p -100.52 -54.16 2.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.831 0.348 . . . . 0.0 110.868 -179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 126.58 48.17 0.19 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.535 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 89.9 t -112.99 116.23 52.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.852 0.358 . . . . 0.0 111.092 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.445 ' NE1' ' HB3' ' A' ' 15' ' ' TRP . 50.3 m95 -62.5 117.45 6.22 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 69.1 m-70 -111.63 147.88 34.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.848 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.429 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.2 m170 -67.75 100.77 0.96 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.979 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.492 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 77.2 p -33.87 -49.63 0.34 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.118 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.453 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 12.6 ttp180 -61.03 -60.04 4.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.872 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 38.9 m -41.32 -61.85 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.91 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG1' ' O ' ' A' ' 43' ' ' THR . 42.5 pt -50.91 -34.51 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.121 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.482 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.4 -44.45 0.88 Allowed Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.472 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.489 ' CG1' HD11 ' A' ' 46' ' ' ILE . 43.4 mm -30.73 144.49 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.849 0.357 . . . . 0.0 111.119 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.407 ' O ' ' C ' ' A' ' 50' ' ' ASN . 4.9 t-20 -97.32 138.59 34.56 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.894 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.407 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.5 p-10 -36.54 -41.65 0.31 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -77.95 -49.63 13.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.065 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.5 t70 -41.01 158.32 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.847 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -98.73 175.82 5.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.094 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 95.9 mt -82.86 132.49 51.12 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.647 0.737 . . . . 0.0 110.89 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.409 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 128.58 16.23 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.261 . . . . 0.0 112.359 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.409 ' C ' ' O ' ' A' ' 55' ' ' PRO . 33.9 t -37.34 -43.18 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.848 -179.816 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 48.9 mttm -141.33 131.0 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.904 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 17.2 t80 -132.58 125.91 31.57 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -109.31 145.05 36.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 61' ' ' PHE . 18.2 p -94.18 146.31 24.08 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 179.924 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.41 ' C ' ' O ' ' A' ' 60' ' ' CYS . 8.4 m-85 -37.18 -50.21 0.95 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.865 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 26.7 mtp85 -47.97 -52.97 17.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.454 ' O ' ' C ' ' A' ' 64' ' ' ILE . 73.3 m -65.4 -46.22 80.86 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.855 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.454 ' C ' ' O ' ' A' ' 63' ' ' CYS . 48.3 mm -33.43 -37.78 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.133 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.43 ' N ' ' O ' ' A' ' 63' ' ' CYS . 10.3 mt-10 -94.23 -39.15 10.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.87 179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.656 HD13 ' O ' ' A' ' 66' ' ' LEU . 1.4 tm? -54.04 -44.96 71.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.954 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 16.3 t -72.56 88.42 1.25 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -88.0 -70.72 1.28 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.49 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -3.67 12.5 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.706 2.271 . . . . 0.0 112.296 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.8 m 45.21 46.61 9.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 -179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.2 m -80.61 44.51 0.72 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.863 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 CA-C-O 119.2 -0.778 . . . . 0.0 112.437 -179.972 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.305 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 t -102.25 93.82 5.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.4 t -164.23 149.95 10.68 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 168.33 -98.72 0.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.496 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.9 p -117.94 89.54 3.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.892 0.377 . . . . 0.0 110.854 -179.714 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.9 t -127.59 111.87 14.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.877 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.29 -144.59 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.487 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -62.81 168.14 4.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 0.0 110.853 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 27.6 tp10 -137.0 106.77 6.21 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.856 -179.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 20.3 mtp180 -144.13 160.87 40.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.85 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -117.52 -89.04 1.35 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.503 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 85.9 t -106.35 143.44 17.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.851 0.357 . . . . 0.0 111.142 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -124.41 -46.37 1.91 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.402 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 16.6 m120 -60.69 -54.87 40.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.92 -179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.513 ' CE3' ' CZ2' ' A' ' 40' ' ' TRP . 11.9 m0 -91.54 104.69 17.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.6 mmtt -65.21 78.96 0.05 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 86.8 t -85.84 119.31 33.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.13 179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 6.1 t0 -169.34 128.45 1.01 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.83 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.6 t -140.35 144.42 36.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.881 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.417 ' HG3' ' N ' ' A' ' 21' ' ' CYS . 21.7 pttt -47.51 -35.95 9.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.881 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.417 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 93.8 m -45.15 -46.82 12.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 129.86 33.07 0.52 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.508 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 93.2 m -105.18 148.77 26.55 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.878 0.37 . . . . 0.0 111.137 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ptmm? -124.08 -41.27 2.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.928 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 14.8 p-10 -118.08 178.01 4.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 22.4 t0 -56.26 110.5 0.77 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.901 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -88.53 -59.6 2.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 165.32 -32.84 0.24 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.487 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -74.8 132.28 41.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.437 ' HG2' ' N ' ' A' ' 31' ' ' MET . 39.5 ttm-85 -42.96 148.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.863 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.437 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 23.5 mtm -145.4 161.74 38.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.92 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.829 HD22 HG22 ' A' ' 43' ' ' THR . 2.0 pt? -146.94 135.0 21.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -68.79 126.66 30.46 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.13 179.775 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -67.11 109.1 2.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.938 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 12.9 t0 -43.33 -39.63 3.2 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.84 -68.97 1.34 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.446 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 6.1 p -102.84 -52.33 3.09 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 0.0 110.886 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.43 58.85 0.22 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.483 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 99.3 t -124.87 136.76 59.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.788 0.328 . . . . 0.0 111.113 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.513 ' CZ2' ' CE3' ' A' ' 15' ' ' TRP . 75.9 m95 -82.92 126.04 32.05 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.898 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.581 ' CB ' HD11 ' A' ' 46' ' ' ILE . 11.9 m-70 -129.07 143.56 50.91 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.869 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.417 ' O ' ' C ' ' A' ' 43' ' ' THR . 9.5 m80 -62.32 88.72 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.824 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.829 HG22 HD22 ' A' ' 32' ' ' LEU . 68.5 p -36.36 -50.81 0.78 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.141 -179.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.7 mmm180 -46.65 -43.57 17.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.404 ' N ' ' O ' ' A' ' 42' ' ' HIS . 1.5 p -79.18 -34.3 43.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.924 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.581 HD11 ' CB ' ' A' ' 41' ' ' HIS . 29.2 mt -54.91 -55.07 17.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.114 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 146.93 40.9 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.513 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 8.9 mt -134.08 126.21 49.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.851 0.358 . . . . 0.0 111.167 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.432 ' O ' ' C ' ' A' ' 50' ' ' ASN . 17.2 t-20 -94.33 135.78 35.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.91 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.432 ' C ' ' O ' ' A' ' 49' ' ' ASN . 9.9 t-20 -36.12 -39.86 0.19 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.892 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -47.68 -51.83 20.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.074 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -76.26 169.88 17.39 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.881 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -100.79 177.43 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.075 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 85.3 mt -84.0 132.25 48.87 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.588 0.709 . . . . 0.0 110.941 -179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.18 15.69 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.713 2.275 . . . . 0.0 112.345 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.4 m -39.01 -41.1 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.889 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 43.8 pttt -137.74 139.82 40.33 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.893 179.876 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.548 ' CE1' HG21 ' A' ' 46' ' ' ILE . 16.0 t80 -138.2 123.08 18.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 76.2 mt -103.16 147.04 27.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.938 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 20.0 p -96.77 166.65 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 64.2 m-85 -48.96 -55.32 12.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 16.1 mmt180 -46.16 -48.35 17.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.878 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.503 ' O ' ' N ' ' A' ' 65' ' ' GLU . 9.7 m -56.61 -46.52 80.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.6 mm -36.29 -29.49 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.084 179.876 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.503 ' N ' ' O ' ' A' ' 63' ' ' CYS . 13.1 mp0 -94.82 -46.71 6.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 25.0 mt -54.89 -45.21 74.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.952 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 27.0 p -57.12 116.92 3.54 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.856 -179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -62.05 121.85 26.82 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.473 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 116.93 4.79 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.672 2.248 . . . . 0.0 112.357 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.8 t -64.91 -55.76 17.38 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.838 -179.791 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 3.8 t -51.79 -57.58 8.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.509 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.522 -0.231 . . . . 0.0 112.522 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 16.4 m -155.36 130.7 9.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 0.0 110.865 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.8 m -143.27 158.16 43.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.0 -127.42 4.03 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.511 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.0 m -48.61 107.44 0.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.938 0.399 . . . . 0.0 110.886 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.2 m -63.61 115.77 5.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.862 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 176.3 -41.03 0.1 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.79 123.22 19.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.701 0.286 . . . . 0.0 110.88 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -81.69 45.21 0.87 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.923 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . 0.473 ' CZ ' ' HA ' ' A' ' 10' ' ' ARG . 0.0 OUTLIER -62.92 133.73 55.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.878 -179.879 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 106.73 -134.12 12.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.493 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.2 t -64.3 119.99 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.865 0.365 . . . . 0.0 111.069 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 t0 -127.31 -48.77 1.43 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.913 179.873 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 11.2 t-20 -38.02 -52.91 1.39 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.892 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 80.1 m95 -101.74 174.19 6.07 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 36.1 tttm -109.11 39.0 2.14 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.909 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.8 t -44.74 131.83 1.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.155 179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -172.51 124.02 0.47 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.885 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 1.8 t -111.6 -178.86 3.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.835 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -102.81 -28.88 11.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.899 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 21.5 p -61.55 -43.76 98.27 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 162.08 -34.46 0.35 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.48 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 88.5 m -62.16 111.82 2.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.857 0.36 . . . . 0.0 111.118 -179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 10.6 pttt -91.97 -39.89 11.43 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.916 179.856 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.402 ' OD1' ' C ' ' A' ' 25' ' ' ASP . 0.6 OUTLIER -109.09 154.08 22.77 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.895 179.829 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -56.38 120.97 8.53 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.878 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -104.43 -64.26 1.13 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.833 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -177.35 38.72 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.483 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -131.44 159.34 38.34 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.851 0.357 . . . . 0.0 110.896 -179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.452 ' HG3' ' N ' ' A' ' 31' ' ' MET . 9.0 tpp180 -72.97 148.84 43.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.854 -179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.452 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 5.8 mtt -149.58 167.83 25.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.916 179.907 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.441 HD21 ' CD1' ' A' ' 46' ' ' ILE . 1.3 pt? -142.43 142.28 32.33 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.906 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -76.08 141.19 42.09 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.057 179.859 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.5 t -87.99 111.64 21.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -44.36 -36.17 2.7 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -55.67 -75.25 0.25 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.471 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -99.84 -48.75 4.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.891 0.377 . . . . 0.0 110.873 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 114.23 65.77 0.44 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.468 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 70.5 t -130.1 138.0 55.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.781 0.324 . . . . 0.0 111.174 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 85.0 m95 -77.11 129.96 36.73 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.918 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 19.5 m-70 -133.11 140.22 47.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.908 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -54.52 104.81 0.12 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.822 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.577 ' HA ' HD11 ' A' ' 46' ' ' ILE . 77.6 p -41.04 -42.43 1.92 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.144 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.402 ' CD ' ' OD1' ' A' ' 49' ' ' ASN . 34.6 mmm-85 -65.52 -55.94 15.05 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.902 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 54.2 m -47.21 -46.99 24.44 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.891 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.577 HD11 ' HA ' ' A' ' 43' ' ' THR . 27.5 pt -69.25 -41.53 81.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.44 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 157.62 -58.64 0.35 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.468 179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.558 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.2 mp -49.9 140.96 3.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 120.883 0.373 . . . . 0.0 111.106 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.402 ' OD1' ' CD ' ' A' ' 44' ' ' ARG . 3.8 t30 -105.48 169.61 8.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -52.72 -43.98 66.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.877 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -64.88 -59.34 4.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -44.46 168.4 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.46 175.86 5.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.119 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 12.8 mt -95.39 134.92 23.68 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.593 0.711 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 168.28 22.05 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.648 2.232 . . . . 0.0 112.342 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.8 m -68.15 -42.41 80.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.843 -179.824 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 8.9 ptmt -139.84 135.55 33.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.591 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.1 t80 -138.34 134.42 34.21 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.807 HD12 ' HB3' ' A' ' 63' ' ' CYS . 3.5 mm? -118.05 143.55 46.33 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.927 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 20.6 p -83.25 157.46 22.66 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.85 179.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.455 ' C ' ' O ' ' A' ' 60' ' ' CYS . 17.0 m-85 -33.48 -48.17 0.25 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -65.96 -60.78 2.51 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.807 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.9 m -45.17 -44.19 10.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 80.8 mt -47.56 -33.93 3.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.117 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 10.9 mm-40 -94.6 -44.62 7.75 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.415 HD21 ' HA ' ' A' ' 69' ' ' PRO . 22.9 tp -52.85 -38.55 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.951 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.0 m 60.39 53.95 4.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.853 -179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 91.09 140.73 9.02 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.503 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.415 ' HA ' HD21 ' A' ' 66' ' ' LEU . 53.4 Cg_endo -69.77 0.08 6.17 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.663 2.242 . . . . 0.0 112.315 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 89.1 p -47.02 97.22 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.833 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.4 p -75.41 -50.51 15.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.833 -179.795 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.107 -0.829 . . . . 0.0 112.472 -179.991 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.279 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -59.08 121.11 10.47 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.87 -179.722 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 16.2 m -84.98 47.6 1.43 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.36 -54.83 1.14 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.495 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.5 m -103.91 135.39 45.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.908 0.385 . . . . 0.0 110.906 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 16.5 m -41.17 -46.28 3.02 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.865 -179.794 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.33 51.17 2.25 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.466 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 31.0 mtm -121.65 43.51 2.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.789 0.328 . . . . 0.0 110.864 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -125.66 -34.38 2.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -65.83 138.54 57.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 85.31 133.41 2.95 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 14' ' ' ASN . 6.2 p -44.17 133.58 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.809 0.337 . . . . 0.0 111.167 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -113.73 43.15 1.85 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.563 ' H ' HG22 ' A' ' 12' ' ' VAL . 43.2 t-20 -130.37 -48.13 1.08 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.831 -179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.495 ' O ' HG23 ' A' ' 17' ' ' VAL . 12.5 m0 -127.71 121.13 29.54 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.1 ttmm -60.55 85.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.881 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.495 HG23 ' O ' ' A' ' 15' ' ' TRP . 74.6 t -96.04 111.96 27.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.106 179.912 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.403 ' O ' ' NE2' ' A' ' 41' ' ' HIS . 7.7 t70 -157.27 125.95 5.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.562 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 33.9 t -136.46 160.09 39.82 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.879 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 25.1 pttt -54.01 -42.29 68.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.88 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 20.8 m -47.83 -34.42 8.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.2 24.51 4.77 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.504 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 87.6 m -88.57 107.27 18.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.894 0.378 . . . . 0.0 111.101 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 21.0 pttm -82.49 -43.54 17.07 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 11.4 p30 -120.33 159.41 25.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -75.56 105.88 6.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . 0.413 ' C ' ' OD1' ' A' ' 27' ' ' ASP . 6.4 t0 -70.26 -48.24 57.74 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 164.09 36.65 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.527 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -123.16 155.77 36.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 120.857 0.36 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 35.0 ttm180 -71.28 132.43 44.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 12.0 mtt -134.9 175.5 9.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.898 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.597 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -148.0 132.48 17.67 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.877 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.532 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -79.44 127.51 32.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.075 179.79 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' N ' ' A' ' 36' ' ' GLY . 1.5 t -59.68 103.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.894 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.447 ' C ' ' O ' ' A' ' 34' ' ' CYS . 0.6 OUTLIER -34.84 -34.7 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.456 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -72.56 -90.0 0.13 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.529 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.1 m -61.95 -62.75 1.57 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.868 0.366 . . . . 0.0 110.842 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.41 38.46 0.52 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.496 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 21.8 t -107.42 129.88 60.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.839 0.352 . . . . 0.0 111.097 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.532 ' CE2' ' HB2' ' A' ' 33' ' ' ALA . 84.5 m95 -79.92 140.14 36.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.93 179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.597 ' O ' HD23 ' A' ' 32' ' ' LEU . 8.8 m-70 -144.85 147.78 33.23 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.497 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 1.3 m80 -63.44 116.54 5.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.859 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.544 HG22 HD22 ' A' ' 32' ' ' LEU . 35.1 p -47.18 -54.82 9.75 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.163 -179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 13.0 ptm180 -57.46 -33.99 68.53 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.497 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 42.4 t -66.62 -36.77 83.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 -179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.583 HD13 HD21 ' A' ' 32' ' ' LEU . 35.1 pt -84.28 -21.68 8.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 141.19 -49.6 0.77 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.528 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.419 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.3 mp -65.08 99.95 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.824 0.345 . . . . 0.0 111.141 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.446 ' O ' ' C ' ' A' ' 50' ' ' ASN . 9.5 m-80 -78.74 144.1 35.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.881 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.446 ' C ' ' O ' ' A' ' 49' ' ' ASN . 3.9 t-20 -34.64 -40.52 0.11 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.91 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -38.63 -60.39 0.82 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.4 m-20 -89.22 171.71 9.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.865 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -87.04 -174.95 5.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.075 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 3.2 mp -96.34 147.68 33.33 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.619 0.723 . . . . 0.0 110.913 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 166.26 28.21 Favored 'Trans proline' 0 C--N 1.342 0.21 0 C-N-CA 122.661 2.241 . . . . 0.0 112.37 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.9 m -61.93 -41.33 97.82 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.839 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -140.94 141.78 34.45 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.886 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.3 t80 -140.74 144.26 35.44 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.466 ' HB3' ' CB ' ' A' ' 63' ' ' CYS . 94.8 mt -126.71 135.48 51.19 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.865 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 31.5 p -65.62 163.57 16.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.904 179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.446 ' O ' ' C ' ' A' ' 62' ' ' ARG . 89.7 m-85 -42.06 -65.84 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.446 ' C ' ' O ' ' A' ' 61' ' ' PHE . 11.4 mmm180 -34.84 -47.92 0.37 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.908 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.466 ' CB ' ' HB3' ' A' ' 59' ' ' LEU . 12.2 m -64.29 -47.61 78.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.91 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.423 ' C ' ' O ' ' A' ' 63' ' ' CYS . 49.7 mm -35.51 -40.16 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.118 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 27.4 mm-40 -89.15 -34.76 16.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.452 ' N ' ' O ' ' A' ' 63' ' ' CYS . 0.8 OUTLIER -58.16 -43.62 87.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 -179.974 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 60.3 p -108.94 103.87 13.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 -179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -82.63 -101.56 0.47 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.494 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 2.84 3.18 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.655 2.237 . . . . 0.0 112.369 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 40.0 m 62.17 54.22 2.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.852 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.9 m -99.17 107.38 19.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.838 -179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.337 0 CA-C-O 119.121 -0.822 . . . . 0.0 112.488 179.988 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.379 0 N-CA-C 112.514 -0.235 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.4 t -89.56 99.67 12.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.809 0.338 . . . . 0.0 110.853 -179.755 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 30.4 t -156.9 139.81 15.28 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.43 125.09 2.93 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.499 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 99.0 p -95.05 101.13 12.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.899 0.38 . . . . 0.0 110.836 -179.7 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 33.4 t -160.6 157.38 27.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.871 -179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 104.99 110.84 3.55 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 34.8 ttp -89.77 69.95 7.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.715 0.293 . . . . 0.0 110.845 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 46.4 mm-40 -142.29 124.55 15.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.908 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 36.6 mmt-85 -75.76 -60.24 2.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.874 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 173.65 155.97 12.62 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.489 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.825 HG11 ' O ' ' A' ' 15' ' ' TRP . 94.1 t -151.08 138.54 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.893 0.378 . . . . 0.0 111.128 -179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -54.09 -59.57 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.873 179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.485 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 0.5 OUTLIER -133.77 -69.03 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.859 -179.927 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.825 ' O ' HG11 ' A' ' 12' ' ' VAL . 14.2 t-105 -110.89 -76.3 0.61 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.857 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.577 ' HB2' ' CD1' ' A' ' 15' ' ' TRP . 29.3 mmtt -143.75 124.81 14.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.923 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.889 HG12 ' HB2' ' A' ' 40' ' ' TRP . 34.6 m -122.95 47.68 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.089 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 9.4 t70 -86.45 83.85 7.56 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.477 ' HA ' ' CE1' ' A' ' 41' ' ' HIS . 1.8 t -76.31 168.99 19.07 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.462 ' HE2' ' CE1' ' A' ' 61' ' ' PHE . 18.3 ptpt -87.72 -35.88 17.68 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.926 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.401 ' N ' ' HG3' ' A' ' 20' ' ' LYS . 8.5 p -43.43 -44.12 5.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.89 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 138.72 35.25 0.16 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.484 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 89.1 m -109.5 139.01 45.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.865 0.364 . . . . 0.0 111.157 -179.884 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -101.9 -35.37 9.02 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.855 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' O ' ' CG2' ' A' ' 23' ' ' THR . 5.1 p-10 -138.05 -176.91 4.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.867 179.886 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.491 ' OD1' ' CE ' ' A' ' 31' ' ' MET . 15.5 t70 -58.46 146.21 36.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -130.49 37.28 3.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 63.04 37.75 95.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.47 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -132.34 176.4 8.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.865 0.364 . . . . 0.0 110.876 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 25.8 ttm-85 -90.43 153.23 20.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.491 ' CE ' ' OD1' ' A' ' 26' ' ' ASP . 34.0 mtm -153.18 172.9 16.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . . . . . . . . . 1.2 pt? -152.59 135.4 15.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.27 130.09 39.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.141 179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.422 ' O ' ' C ' ' A' ' 35' ' ' ASP . 0.9 OUTLIER -68.96 106.9 2.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.911 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.422 ' C ' ' O ' ' A' ' 34' ' ' CYS . 14.5 t70 -35.77 -35.38 0.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.409 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -65.07 -89.39 0.04 OUTLIER Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.469 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 5.7 p -69.46 -50.53 44.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.895 0.379 . . . . 0.0 110.94 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.569 ' O ' ' CD1' ' A' ' 15' ' ' TRP . . . 108.48 60.83 0.54 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.493 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.43 HG13 ' O ' ' A' ' 16' ' ' LYS . 92.6 t -132.09 129.87 60.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.785 0.326 . . . . 0.0 111.165 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.889 ' HB2' HG12 ' A' ' 17' ' ' VAL . 83.4 m95 -68.47 114.99 7.36 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.905 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.477 ' CE1' ' HA ' ' A' ' 19' ' ' CYS . 29.9 m-70 -119.3 148.41 43.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.856 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 39.6 m80 -60.12 119.75 8.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.835 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.576 HG21 HD21 ' A' ' 54' ' ' LEU . 54.7 p -57.8 -32.64 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.183 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.449 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.0 OUTLIER -70.29 -36.84 74.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.449 ' N ' ' HD3' ' A' ' 44' ' ' ARG . 2.0 m -62.96 -50.79 69.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 42.6 pt -64.0 -25.49 38.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.17 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 116.43 64.23 0.35 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.453 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 4.1 mt -151.57 124.26 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-O 120.83 0.347 . . . . 0.0 111.11 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 47.7 t30 -98.18 167.53 10.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.904 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 m-20 -55.04 -41.83 71.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.83 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -59.32 -47.91 83.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.047 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.5 t70 -67.39 163.85 19.91 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.884 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -106.45 168.94 8.82 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.124 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.576 HD21 HG21 ' A' ' 43' ' ' THR . 63.7 mt -84.81 136.59 38.83 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 110.871 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 146.13 59.23 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.645 2.23 . . . . 0.0 112.365 179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 39.9 t -51.91 -43.5 63.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.855 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.2 pttp -143.93 125.64 15.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.532 ' C ' HD22 ' A' ' 59' ' ' LEU . 1.7 t80 -119.71 137.22 54.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.852 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 ' O ' HD11 ' A' ' 64' ' ' ILE . 4.3 mm? -120.48 115.58 23.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.93 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.438 ' O ' ' C ' ' A' ' 61' ' ' PHE . 13.6 p -65.09 146.4 55.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.867 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.671 ' HA ' HD12 ' A' ' 64' ' ' ILE . 51.2 p90 -34.56 -46.41 0.28 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.898 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.77 -64.6 0.73 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.878 -179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.546 ' HA ' HD13 ' A' ' 66' ' ' LEU . 71.1 m -62.69 -43.21 99.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.919 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.671 HD12 ' HA ' ' A' ' 61' ' ' PHE . 92.6 mt -43.93 -31.5 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.157 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 20.2 mt-10 -81.49 -37.28 28.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.887 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.546 HD13 ' HA ' ' A' ' 63' ' ' CYS . 2.7 mp -57.6 -40.37 78.91 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . 0.447 ' O ' ' C ' ' A' ' 68' ' ' GLY . 11.8 t -48.24 -46.51 35.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.832 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.447 ' C ' ' O ' ' A' ' 67' ' ' SER . . . -34.56 -78.84 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.451 -179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 142.29 47.56 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.702 2.268 . . . . 0.0 112.365 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 30.3 t 55.8 41.56 30.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 13.4 t -60.71 124.47 20.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.851 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 CA-C-O 119.11 -0.828 . . . . 0.0 112.486 179.975 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.362 0 N-CA-C 112.514 -0.234 . . . . 0.0 112.514 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.1 m -133.11 98.41 4.26 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.917 0.389 . . . . 0.0 110.819 -179.724 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.5 p -126.09 167.76 14.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.846 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 113.88 -177.96 18.1 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.506 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 28.6 t -138.24 145.23 41.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.884 0.373 . . . . 0.0 110.882 -179.733 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 60.5 p -174.56 148.39 1.17 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -88.47 82.99 1.49 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.476 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . 0.408 ' HG3' ' N ' ' A' ' 9' ' ' GLU . 5.8 tpt -173.03 146.5 1.5 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.764 0.316 . . . . 0.0 110.882 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . 0.408 ' N ' ' HG3' ' A' ' 8' ' ' MET . 0.5 OUTLIER -142.18 156.54 45.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.893 -179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -88.1 179.82 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 83.57 95.51 0.61 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.484 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.479 HG13 ' O ' ' A' ' 12' ' ' VAL . 9.1 p -126.45 125.87 68.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.841 0.353 . . . . 0.0 111.164 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.472 ' O ' ' N ' ' A' ' 15' ' ' TRP . 3.7 m-20 -106.95 -72.53 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.838 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 13' ' ' ASP . 3.9 p-10 -34.49 -34.31 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 -179.931 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.778 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 1.6 t90 -134.95 102.19 5.14 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.882 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 mmtt -97.14 146.98 24.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -129.35 105.42 12.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.102 179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 4.1 t0 -122.33 100.7 7.08 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.894 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 4.0 t -125.11 153.03 43.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.43 -20.05 52.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.862 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 70.1 m -66.1 -41.58 90.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.916 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 111.71 31.33 2.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.507 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 54.5 m -82.74 119.66 24.62 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.913 0.387 . . . . 0.0 111.123 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 7.4 tptt -79.71 -46.06 17.79 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.1 p30 -139.88 163.29 33.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.859 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 29.0 p-10 -56.21 146.88 22.14 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.892 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.9 t0 -130.28 -49.8 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.87 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -166.61 -31.84 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.479 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 27.2 mt-10 -73.02 156.77 38.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.803 0.335 . . . . 0.0 110.896 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.429 ' HG2' ' N ' ' A' ' 31' ' ' MET . 11.8 ttt85 -93.33 149.31 21.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.429 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 0.4 OUTLIER -135.27 178.4 7.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 HD22 HG22 ' A' ' 43' ' ' THR . 2.5 pt? -139.85 133.03 29.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -69.61 135.91 50.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.079 179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.482 ' O ' ' N ' ' A' ' 38' ' ' GLY . 2.5 t -84.95 103.42 13.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.862 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -43.06 -41.96 3.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.912 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -46.06 -75.2 0.19 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.498 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -95.63 -43.11 8.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.848 0.356 . . . . 0.0 110.89 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . 0.482 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . 112.72 60.49 0.43 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -136.21 145.02 31.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.831 0.348 . . . . 0.0 111.091 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.778 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 91.4 m95 -84.7 144.78 28.33 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.944 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.569 ' O ' HD23 ' A' ' 32' ' ' LEU . 24.6 m-70 -145.32 150.73 37.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.864 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 27.4 m170 -60.32 121.39 11.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.656 HG22 HD22 ' A' ' 32' ' ' LEU . 17.8 p -64.83 -47.83 76.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptm85 -59.58 -34.69 73.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.876 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 9.1 m -62.74 -44.44 96.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.909 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.47 HG13 ' N ' ' A' ' 47' ' ' GLY . 26.9 pt -75.49 -31.77 24.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.099 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.47 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 146.64 -50.38 0.61 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.446 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.452 ' H ' HD12 ' A' ' 48' ' ' ILE . 4.6 mp -65.89 118.72 9.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.806 0.336 . . . . 0.0 111.15 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.414 ' O ' ' C ' ' A' ' 50' ' ' ASN . 82.3 m-20 -91.88 138.7 31.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.875 179.948 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.414 ' C ' ' O ' ' A' ' 49' ' ' ASN . 2.0 p30 -36.96 -36.27 0.12 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.924 179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -46.59 -50.04 18.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.114 179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.0 t70 -95.27 168.65 10.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -80.33 155.75 27.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.085 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.563 HD23 ' N ' ' A' ' 54' ' ' LEU . 0.1 OUTLIER -103.33 162.06 21.17 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 110.963 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 150.64 68.29 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.626 2.218 . . . . 0.0 112.304 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 4.3 m -64.46 -34.35 78.0 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.861 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 52.5 mtpt -125.59 121.91 34.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.917 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 12.4 t80 -130.49 135.32 47.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.894 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 69.5 mt -110.55 153.23 25.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.948 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.448 ' O ' ' C ' ' A' ' 61' ' ' PHE . 21.3 p -106.7 150.74 25.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.86 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.541 ' CE2' ' HG2' ' A' ' 62' ' ' ARG . 23.4 p90 -34.54 -52.19 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.816 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.541 ' HG2' ' CE2' ' A' ' 61' ' ' PHE . 12.7 mmt180 -51.3 -56.06 15.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.91 -179.879 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLU . 2.4 m -45.8 -48.54 15.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.946 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.435 ' C ' ' O ' ' A' ' 63' ' ' CYS . 51.1 mm -34.57 -34.74 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.151 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.447 ' N ' ' O ' ' A' ' 63' ' ' CYS . 18.5 mt-10 -90.01 -42.13 11.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.89 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.436 ' N ' ' O ' ' A' ' 63' ' ' CYS . 24.4 tp -56.32 -41.17 75.57 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 95.3 p -40.16 122.84 1.59 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.838 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -165.64 -153.11 7.47 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.502 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -8.61 24.04 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.696 2.264 . . . . 0.0 112.323 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 36.4 m -54.98 113.27 1.28 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.864 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.1 t -90.47 108.53 19.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.831 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.527 179.967 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.336 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 55.0 p -100.36 -46.17 5.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.911 0.386 . . . . 0.0 110.827 -179.687 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.7 t -117.76 -50.83 2.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.848 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -176.93 50.78 0.11 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.501 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.0 p 42.23 42.27 2.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.881 0.372 . . . . 0.0 110.801 -179.742 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.0 m -39.58 100.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -163.93 141.24 6.97 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.481 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.3 tpt -106.8 153.99 21.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.759 0.314 . . . . 0.0 110.852 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 9.3 mm-40 -40.63 135.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 63.7 mtp85 -93.63 85.3 4.84 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.919 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . 0.405 ' O ' ' C ' ' A' ' 12' ' ' VAL . . . 151.03 169.94 17.4 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.478 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.405 ' C ' ' O ' ' A' ' 11' ' ' GLY . 91.7 t -37.15 144.09 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.857 0.361 . . . . 0.0 111.101 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.3 m-20 -73.87 -52.84 11.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.874 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 16.0 m120 -46.37 -59.42 2.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.421 ' HB3' ' NE1' ' A' ' 40' ' ' TRP . 84.5 m95 -130.0 140.03 50.95 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.884 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 tttt -69.28 128.34 36.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.87 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 74.0 t -127.42 79.44 0.63 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.137 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 10.7 t70 -118.82 147.37 43.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.4 t -151.65 171.79 17.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.885 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 22.5 ptmt -85.57 -38.52 18.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.883 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.0 p -42.72 -44.37 4.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 130.81 29.67 0.62 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.482 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.406 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 31.3 m -106.11 141.5 37.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.841 0.353 . . . . 0.0 111.171 -179.893 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 13.5 ptpt -115.86 -21.15 9.71 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.406 ' O ' ' CG2' ' A' ' 23' ' ' THR . 19.5 m-20 -141.14 175.9 9.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.871 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 32.4 m-20 -65.98 109.15 2.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.844 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -86.17 -54.35 4.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.877 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -175.01 -35.02 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.502 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 29.5 mp0 -77.72 148.92 34.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.816 0.341 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.0 ttp180 -75.99 153.53 36.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.859 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -133.45 174.28 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.49 HD11 ' CG ' ' A' ' 58' ' ' PHE . 1.7 pt? -135.94 131.42 35.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.914 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.425 ' HB2' ' CE2' ' A' ' 40' ' ' TRP . . . -74.31 148.9 40.97 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.103 179.806 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 12.5 t -76.09 112.37 12.47 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.903 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -41.81 -31.05 0.28 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.874 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -78.86 -75.46 1.0 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.533 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.7 m -76.1 -70.83 0.42 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.859 0.361 . . . . 0.0 110.919 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 144.92 -6.29 1.57 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.483 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 2.5 p -63.13 137.65 24.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.845 0.355 . . . . 0.0 111.104 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.538 ' O ' ' CD2' ' A' ' 41' ' ' HIS . 32.4 m95 -90.62 160.1 16.08 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.908 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.538 ' CD2' ' O ' ' A' ' 40' ' ' TRP . 24.5 m-70 -155.68 149.62 25.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.842 179.923 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 30.5 m80 -60.71 126.0 25.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.857 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . . . . . . . . . 10.8 p -54.82 -33.89 62.12 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.151 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 10.9 mmm180 -74.19 -41.73 60.96 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.897 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 19.8 m -58.89 -38.62 79.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.922 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.454 HD11 ' CG1' ' A' ' 48' ' ' ILE . 27.3 pt -76.06 -25.1 16.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.13 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . 96.34 76.61 1.32 Allowed Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.452 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.751 HD11 ' HD3' ' A' ' 55' ' ' PRO . 13.7 mm -111.97 142.11 25.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.831 0.348 . . . . 0.0 111.162 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 3.7 t-20 -82.09 152.07 26.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.909 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 30.7 t-20 -58.24 -27.45 63.98 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.862 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -87.08 31.93 0.7 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.092 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 8.8 t0 -175.13 149.63 1.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.883 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . 0.418 ' C ' ' HG ' ' A' ' 54' ' ' LEU . . . -120.62 -12.11 8.95 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.096 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.418 ' HG ' ' C ' ' A' ' 53' ' ' ALA . 10.7 mt -151.4 126.64 4.79 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.598 0.713 . . . . 0.0 110.954 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.751 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.5 Cg_endo -69.73 156.4 63.51 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.706 2.271 . . . . 0.0 112.31 179.84 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 30.6 t -54.04 -44.35 70.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.855 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 38.9 mttm -144.02 113.09 6.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.888 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.645 ' C ' HD22 ' A' ' 59' ' ' LEU . 27.4 t80 -100.6 107.47 19.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.869 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.645 HD22 ' C ' ' A' ' 58' ' ' PHE . 2.7 mm? -117.57 99.71 7.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.876 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.457 ' O ' ' C ' ' A' ' 61' ' ' PHE . 1.7 p -46.47 157.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.457 ' C ' ' O ' ' A' ' 60' ' ' CYS . 82.8 m-85 -33.37 -72.6 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.892 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 45.0 mtp180 -40.88 -63.12 0.7 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.489 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.8 m -38.03 -59.61 0.83 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.853 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.448 ' C ' ' O ' ' A' ' 63' ' ' CYS . 79.4 mt -34.13 -43.42 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.195 179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 25.6 mm-40 -80.59 -38.4 29.48 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.489 ' N ' ' O ' ' A' ' 63' ' ' CYS . 15.1 tp -57.3 -41.82 80.57 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.937 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 3.6 m -37.8 100.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.87 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.416 ' C ' ' H ' ' A' ' 70' ' ' SER . . . -87.74 -67.16 1.31 Allowed Glycine 0 N--CA 1.453 -0.225 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.468 -179.981 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 10.83 0.44 Allowed 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.685 2.257 . . . . 0.0 112.34 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.416 ' H ' ' C ' ' A' ' 68' ' ' GLY . 21.1 p -79.75 45.28 0.68 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.853 -179.851 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 43.7 t -172.0 145.49 1.85 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.897 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 CA-C-O 119.161 -0.799 . . . . 0.0 112.483 179.992 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.454 -0.259 . . . . 0.0 112.454 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -105.07 103.7 13.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.891 0.377 . . . . 0.0 110.879 -179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -77.4 -58.97 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.838 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.76 -155.79 6.95 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.496 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 74.5 m -88.83 131.06 35.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.89 0.376 . . . . 0.0 110.872 -179.759 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 44.1 p -78.16 158.67 28.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.852 -179.797 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 129.62 -159.87 22.59 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.484 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.4 ptt? -54.77 126.66 25.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 0.0 110.857 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 43.8 mt-10 -74.41 145.08 44.0 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.889 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -114.95 122.87 47.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.884 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 133.46 -151.33 20.09 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.497 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -74.56 146.08 10.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 0.0 111.12 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -116.18 -54.38 2.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.817 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 33.2 m-20 -50.74 -55.95 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . . . . . . . . . 2.1 m-90 -90.21 82.43 6.03 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 13.6 tptm -69.4 103.82 2.11 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.91 179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.887 HG12 ' HB2' ' A' ' 40' ' ' TRP . 19.7 m -106.68 104.03 16.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.082 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -134.7 95.66 3.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.831 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 5.8 t -107.87 166.63 10.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.881 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.31 -30.87 65.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.91 179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 60.0 m -53.1 -44.55 67.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.877 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 119.42 35.28 0.94 Allowed Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.473 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 92.6 m -88.05 116.76 26.46 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.84 0.352 . . . . 0.0 111.168 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -77.06 -43.5 34.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.884 179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -143.51 169.32 17.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -56.75 114.06 1.91 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -91.77 -44.77 8.78 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 157.33 39.77 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.487 -179.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . 0.484 ' OE2' ' CZ ' ' A' ' 44' ' ' ARG . 47.6 mt-10 -131.69 154.76 48.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.799 0.333 . . . . 0.0 110.891 -179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.8 ttm180 -71.16 139.68 50.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.882 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 11.8 mtm -146.6 161.25 40.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.889 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.623 HD22 HG22 ' A' ' 43' ' ' THR . 2.2 pt? -135.79 135.66 40.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.896 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.8 122.34 27.57 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.115 179.767 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 1.8 t -43.84 116.12 0.92 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.847 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.3 t70 -41.26 -36.66 0.82 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.836 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -79.32 -87.2 0.52 Allowed Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.462 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.4 m -57.46 -67.0 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 0.0 110.912 -179.879 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.12 48.32 0.27 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.435 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 97.5 t -110.85 128.3 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.792 0.33 . . . . 0.0 111.171 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.887 ' HB2' HG12 ' A' ' 17' ' ' VAL . 86.6 m95 -75.67 111.5 11.06 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.919 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 50.2 m-70 -118.57 140.65 49.56 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.878 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 29.1 m170 -51.47 111.12 0.53 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.623 HG22 HD22 ' A' ' 32' ' ' LEU . 82.0 p -48.18 -33.32 8.26 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.144 -179.901 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.484 ' CZ ' ' OE2' ' A' ' 29' ' ' GLU . 15.0 ptp180 -71.47 -41.44 69.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.867 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 10.8 m -60.07 -45.94 91.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.899 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.596 HD13 HD21 ' A' ' 32' ' ' LEU . 26.6 pt -64.45 -36.5 77.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.939 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.473 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 133.8 52.99 0.07 OUTLIER Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.5 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 26.2 mm -126.53 94.95 2.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.893 0.377 . . . . 0.0 111.122 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.4 ' O ' ' N ' ' A' ' 52' ' ' ASP . 23.4 t-20 -88.65 155.89 19.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.917 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 6.3 p30 -40.81 -41.98 1.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.885 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -62.77 -41.64 99.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.115 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.4 ' N ' ' O ' ' A' ' 49' ' ' ASN . 6.8 m-20 -78.96 168.1 20.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.872 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -119.36 -179.75 3.95 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.071 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 89.7 mt -77.37 124.88 86.91 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.628 0.728 . . . . 0.0 110.914 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.84 140.05 41.44 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.704 2.269 . . . . 0.0 112.296 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 1.4 t -55.51 -38.93 69.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.858 -179.818 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 28.6 mtmm -142.31 141.01 32.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.872 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 11.7 t80 -132.6 123.67 26.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.86 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.532 HD12 ' HB3' ' A' ' 63' ' ' CYS . 2.4 mm? -105.04 100.42 10.02 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.95 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.467 ' O ' ' C ' ' A' ' 61' ' ' PHE . 4.4 p -56.22 143.79 32.3 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.884 179.95 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.565 ' HA ' HD13 ' A' ' 64' ' ' ILE . 40.5 p90 -32.39 -49.84 0.22 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.877 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.441 ' N ' ' CD2' ' A' ' 61' ' ' PHE . 2.0 ttt180 -48.61 -57.84 5.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.864 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.532 ' HB3' HD12 ' A' ' 59' ' ' LEU . 7.8 m -38.48 -70.62 0.09 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.831 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.585 HD12 ' H ' ' A' ' 64' ' ' ILE . 4.3 mp -33.03 -35.89 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.111 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.477 ' N ' ' O ' ' A' ' 63' ' ' CYS . 11.1 mt-10 -84.67 -43.18 14.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.506 ' N ' ' O ' ' A' ' 63' ' ' CYS . 17.8 tp -54.92 -41.67 71.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.953 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 23.0 t -51.78 144.57 10.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.839 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 107.26 -104.66 2.16 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.505 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 153.72 68.66 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.651 2.234 . . . . 0.0 112.378 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 25.6 t -60.53 168.7 2.04 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 20.8 t -79.78 129.15 34.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.839 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.159 -0.801 . . . . 0.0 112.509 179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.8 m -63.0 124.24 20.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.806 0.336 . . . . 0.0 110.912 -179.758 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 35.9 t -39.32 117.81 0.74 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.85 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.0 81.88 0.24 Allowed Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.5 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 m -107.51 161.09 15.15 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.941 0.401 . . . . 0.0 110.824 -179.728 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.3 m -57.74 114.44 2.29 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.91 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -76.21 -128.06 0.27 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.486 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -108.42 42.69 1.34 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.707 0.289 . . . . 0.0 110.867 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -88.29 117.29 27.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -84.62 48.01 1.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.865 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -72.04 -159.86 4.4 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.441 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.5 m -50.47 146.12 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.842 0.354 . . . . 0.0 111.146 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.514 ' CG ' ' N ' ' A' ' 14' ' ' ASN . 0.5 OUTLIER -117.13 -54.4 2.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.852 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.514 ' N ' ' CG ' ' A' ' 13' ' ' ASP . 35.1 m120 -85.5 -41.38 15.39 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.772 ' CZ3' ' CZ2' ' A' ' 40' ' ' TRP . 13.2 m95 -79.62 110.83 15.32 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.638 ' O ' HG23 ' A' ' 39' ' ' VAL . 1.8 ttmp? -83.55 28.78 0.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.526 HG13 ' O ' ' A' ' 17' ' ' VAL . 4.2 p -55.68 81.99 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.16 179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.491 ' N ' ' O ' ' A' ' 16' ' ' LYS . 26.6 t70 -127.42 125.35 40.44 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.811 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.6 t -123.07 153.99 39.16 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.871 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.59 -23.63 63.11 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.916 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 59.6 m -61.84 -41.48 97.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.889 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.79 24.22 1.38 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.507 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.486 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 92.8 m -90.57 121.52 32.57 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.868 0.366 . . . . 0.0 111.113 -179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.41 ' HD2' ' C ' ' A' ' 24' ' ' LYS . 0.0 OUTLIER -98.19 -17.27 19.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.883 179.863 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' O ' ' CG2' ' A' ' 23' ' ' THR . 26.1 t70 -148.92 169.91 19.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.881 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.542 ' HA ' ' HE1' ' A' ' 31' ' ' MET . 3.8 p30 -57.53 113.31 1.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 76.1 m-20 -83.67 -65.27 1.03 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.872 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -173.36 -29.83 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.45 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.2 mp0 -77.09 153.74 34.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.842 0.353 . . . . 0.0 110.93 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.415 ' C ' ' HG3' ' A' ' 31' ' ' MET . 3.7 tpm_? -58.61 145.79 38.35 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.542 ' HE1' ' HA ' ' A' ' 26' ' ' ASP . 1.3 mtt -140.89 151.44 44.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.881 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.521 ' H ' HD23 ' A' ' 32' ' ' LEU . 2.1 pt? -136.48 125.89 25.02 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.935 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -85.73 137.77 32.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.084 179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.456 ' O ' ' C ' ' A' ' 35' ' ' ASP . 3.9 t -61.93 103.81 0.39 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.915 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.456 ' C ' ' O ' ' A' ' 34' ' ' CYS . 21.1 t70 -34.09 -38.05 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.848 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 34' ' ' CYS . . . -67.64 -79.99 0.22 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.525 -179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.3 m -70.97 -67.61 0.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.866 0.365 . . . . 0.0 110.895 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 124.77 48.71 0.21 Allowed Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.638 HG23 ' O ' ' A' ' 16' ' ' LYS . 4.4 p -120.73 113.35 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.822 0.344 . . . . 0.0 111.139 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.772 ' CZ2' ' CZ3' ' A' ' 15' ' ' TRP . 14.7 m95 -64.35 153.05 39.62 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.931 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -152.88 134.1 14.22 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.848 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.443 ' O ' ' N ' ' A' ' 45' ' ' CYS . 17.6 m170 -47.21 101.08 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.864 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.821 HG21 HD21 ' A' ' 54' ' ' LEU . 73.6 p -37.25 -35.87 0.12 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.126 -179.897 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.408 ' HG3' ' N ' ' A' ' 45' ' ' CYS . 13.1 ptm180 -72.2 -46.04 57.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.443 ' N ' ' O ' ' A' ' 42' ' ' HIS . 16.2 m -52.51 -38.88 60.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.484 ' CG1' ' O ' ' A' ' 43' ' ' THR . 36.7 pt -75.72 -29.34 20.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.125 179.913 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.491 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 145.57 -44.81 0.85 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.459 179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.491 ' C ' ' O ' ' A' ' 47' ' ' GLY . 26.6 mm -30.51 142.23 0.02 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-O 120.849 0.357 . . . . 0.0 111.133 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 45.5 t30 -97.25 145.55 25.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.908 179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 3.5 t-20 -46.1 -35.54 5.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.882 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -82.21 -46.06 14.24 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.105 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -50.14 165.03 0.09 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.847 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -102.12 -177.99 3.57 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.099 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.821 HD21 HG21 ' A' ' 43' ' ' THR . 76.6 mt -88.87 140.33 29.32 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.601 0.715 . . . . 0.0 110.894 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 124.07 10.71 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.678 2.252 . . . . 0.0 112.31 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 71.1 m -38.88 -41.86 0.79 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.881 -179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -138.86 139.74 38.22 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.892 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -138.01 145.98 42.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.843 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.42 HD22 ' HB3' ' A' ' 63' ' ' CYS . 22.6 mt -139.36 106.0 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.949 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 16.1 p -43.78 152.68 0.15 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.84 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -40.1 -54.18 2.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.894 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 24.6 mmt180 -44.28 -45.16 8.5 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.869 -179.905 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.42 ' HB3' HD22 ' A' ' 59' ' ' LEU . 5.4 m -64.74 -53.41 47.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.835 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . . . . . . . . . 75.3 mt -42.04 -39.75 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.141 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 28.9 mm-40 -84.22 -40.26 18.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.865 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 10.3 tp -55.5 -42.26 74.19 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.92 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 84.4 p -50.47 164.56 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.837 -179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . -113.56 -156.8 12.17 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.508 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 99.05 0.71 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.674 2.249 . . . . 0.0 112.345 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.2 p -116.44 176.18 5.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.836 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.1 t -50.57 120.51 4.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.912 -179.836 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.343 0 CA-C-O 119.132 -0.816 . . . . 0.0 112.472 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.425 -0.27 . . . . 0.0 112.425 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 39.0 t -155.3 133.28 11.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.846 0.355 . . . . 0.0 110.844 -179.724 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -111.17 174.92 5.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.832 -179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.86 59.66 0.49 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.474 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.2 t -74.71 162.73 28.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.844 -179.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -63.53 129.35 39.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -111.93 -83.39 1.31 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.526 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 3.8 mmt -118.98 137.12 53.73 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.781 0.324 . . . . 0.0 110.851 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.2 pt-20 -94.71 82.49 3.93 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -127.43 143.44 51.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.833 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -113.63 119.47 4.81 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.455 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 1.9 p -47.24 -42.92 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.813 0.339 . . . . 0.0 111.081 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.2 OUTLIER -173.93 172.65 3.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.874 179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.43 ' C ' ' O ' ' A' ' 13' ' ' ASP . 34.8 t-20 -35.03 -53.9 0.59 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.882 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.433 ' HB3' ' CD1' ' A' ' 40' ' ' TRP . 45.9 m95 -81.21 120.5 24.96 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.942 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.844 ' O ' HG13 ' A' ' 39' ' ' VAL . 53.3 mttm -70.71 89.92 0.76 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.952 179.901 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.417 HG11 ' OD1' ' A' ' 26' ' ' ASP . 45.6 t -76.9 -24.98 15.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.139 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -42.76 139.61 1.58 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 3.9 t -125.81 174.2 8.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.885 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 11.9 ptmm? -79.08 -33.77 44.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.869 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 8.2 p -59.98 -48.09 83.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.865 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 154.43 -30.47 0.7 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 26.6 m -54.72 111.73 0.88 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.854 0.359 . . . . 0.0 111.15 -179.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.425 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 10.7 ptmt -95.85 -40.82 9.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.425 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 1.8 p30 -106.13 177.81 4.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . 0.417 ' OD1' HG11 ' A' ' 17' ' ' VAL . 2.0 m-20 -81.89 103.07 11.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -77.51 -65.31 0.98 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 169.42 39.18 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.521 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 22.5 mt-10 -128.56 168.68 15.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.0 ttt180 -79.24 136.75 37.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.876 -179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.479 ' SD ' ' CD2' ' A' ' 42' ' ' HIS . 7.5 mtm -141.62 162.18 36.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.841 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 41' ' ' HIS . 2.5 pt? -147.23 139.23 24.37 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.916 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -72.02 145.55 48.24 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.096 179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.473 ' HB2' ' CE2' ' A' ' 58' ' ' PHE . 0.6 OUTLIER -100.22 109.57 21.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.846 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -46.14 -34.19 4.07 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -52.37 -71.5 0.66 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.527 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 3.9 p -97.12 -51.23 4.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.925 0.393 . . . . 0.0 110.911 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 121.33 41.51 0.5 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.526 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.844 HG13 ' O ' ' A' ' 16' ' ' LYS . 42.4 t -116.66 137.73 49.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.819 0.342 . . . . 0.0 111.168 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.433 ' CD1' ' HB3' ' A' ' 15' ' ' TRP . 28.3 m95 -83.8 89.72 7.22 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.647 ' O ' HD23 ' A' ' 32' ' ' LEU . 9.1 m170 -90.2 148.09 23.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.277 -0.419 . . . . 0.0 110.83 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . 0.503 ' HB2' ' CB ' ' A' ' 45' ' ' CYS . 4.1 m80 -68.0 130.38 42.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.817 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.456 ' O ' ' CG1' ' A' ' 46' ' ' ILE . 17.7 p -51.97 -53.75 37.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.171 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.454 ' HD3' ' N ' ' A' ' 45' ' ' CYS . 0.2 OUTLIER -62.24 -40.29 95.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . 0.503 ' CB ' ' HB2' ' A' ' 42' ' ' HIS . 47.2 t -61.58 -38.55 87.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.876 -179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.524 HD13 HD21 ' A' ' 32' ' ' LEU . 34.7 pt -79.71 -33.73 15.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.121 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.488 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 129.22 55.23 0.1 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.512 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . . . . . . . . . 5.6 mt -154.07 107.89 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.83 0.348 . . . . 0.0 111.156 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 8.1 m120 -70.9 169.91 13.76 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -81.82 46.07 0.96 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -130.83 -41.79 1.15 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.122 179.865 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -91.21 128.84 37.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.906 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -49.57 169.32 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.117 179.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 40.3 mt -82.9 133.93 47.74 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.614 0.721 . . . . 0.0 110.922 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 133.59 25.88 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.647 2.231 . . . . 0.0 112.371 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.4 t -43.2 -42.49 4.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.856 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 6.5 mmmm -123.16 135.12 54.19 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.857 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.48 ' CZ ' HG21 ' A' ' 46' ' ' ILE . 4.0 t80 -131.12 94.27 3.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.879 179.928 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 11.4 mt -102.15 101.73 12.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.871 -179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.455 ' O ' ' C ' ' A' ' 61' ' ' PHE . 25.2 p -45.28 147.4 0.78 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.898 179.878 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.773 ' HA ' HD12 ' A' ' 64' ' ' ILE . 91.3 m-85 -33.85 -66.93 0.14 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.858 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' C ' ' O ' ' A' ' 61' ' ' PHE . 12.9 mmt85 -36.56 -58.85 0.7 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.863 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.403 ' O ' ' N ' ' A' ' 65' ' ' GLU . 10.9 m -51.68 -54.11 31.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.896 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.773 HD12 ' HA ' ' A' ' 61' ' ' PHE . 85.5 mt -37.56 -32.78 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 179.915 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 63' ' ' CYS . 3.9 mm-40 -91.07 -43.32 9.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 21.1 mt -55.27 -44.89 76.05 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.887 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 88.3 p -72.33 135.63 45.96 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.836 -179.915 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.446 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . -176.56 -61.61 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.473 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.446 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.5 Cg_endo -69.77 -2.22 9.81 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.697 2.265 . . . . 0.0 112.306 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.0 t -110.35 146.61 35.48 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.8 t 56.62 44.8 23.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.847 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 CA-C-O 119.102 -0.832 . . . . 0.0 112.478 179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.357 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 m -59.53 155.85 14.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.881 0.372 . . . . 0.0 110.88 -179.732 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 41.7 m -139.91 149.37 43.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -100.31 92.12 1.07 Allowed Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.1 p -101.52 131.5 47.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.917 0.389 . . . . 0.0 110.864 -179.787 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.7 t -96.01 155.5 16.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.874 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.82 -127.11 1.61 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.484 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 2.9 ttm -43.91 99.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.72 0.295 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 4.5 mm-40 -48.07 104.97 0.06 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.829 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 29.2 mmt180 -146.43 131.06 17.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 143.01 -59.69 0.53 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.493 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 91.9 t -124.74 144.23 35.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.364 . . . . 0.0 111.13 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -60.66 173.61 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.854 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 13.6 t-20 -40.24 -45.94 2.17 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.902 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.477 ' HB2' ' CD1' ' A' ' 40' ' ' TRP . 2.0 p90 -73.46 119.53 17.82 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.937 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.7 tttt -72.24 114.31 10.22 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.927 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 39.9 t -114.55 101.7 12.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.095 179.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . . . . . . . . . 21.0 t0 -137.88 109.94 7.27 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.862 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 9.8 t -118.88 166.93 12.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.908 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 9.0 ptpt -85.24 -34.17 22.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.917 179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 26.3 p -45.06 -46.74 11.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.878 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 137.69 30.74 0.25 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.486 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 56.5 m -103.24 132.56 49.4 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.832 0.348 . . . . 0.0 111.144 -179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 9.5 ptpp? -106.36 -44.91 4.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.906 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -120.7 -179.8 4.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -67.02 116.54 7.96 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.865 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -85.74 -45.26 11.8 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.877 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 156.45 -30.45 0.57 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.474 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 14.6 mm-40 -73.17 158.58 34.99 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.878 0.37 . . . . 0.0 110.857 -179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.4 tpp180 -71.22 154.21 41.84 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.898 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 32.3 mtt -133.6 159.41 40.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.554 HD21 ' CB ' ' A' ' 58' ' ' PHE . 1.0 OUTLIER -122.0 135.15 54.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.93 -179.967 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -81.53 146.01 30.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.085 179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.5 t -96.05 112.46 24.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.584 ' OD1' HD21 ' A' ' 59' ' ' LEU . 2.3 p30 -53.66 -33.67 56.04 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.868 179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . 0.465 ' H ' HD23 ' A' ' 59' ' ' LEU . . . -53.31 -71.09 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.784 -0.722 . . . . 0.0 112.445 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 13.6 p -105.68 -50.17 3.26 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.906 0.384 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.51 71.87 0.27 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.556 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 98.9 t -135.09 138.68 48.49 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.827 0.346 . . . . 0.0 111.118 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.477 ' CD1' ' HB2' ' A' ' 15' ' ' TRP . 94.8 m95 -81.26 92.37 6.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 21.6 m-70 -96.3 125.58 40.91 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 38.9 m80 -47.59 110.8 0.35 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.471 ' HA ' HD11 ' A' ' 46' ' ' ILE . 30.5 p -44.37 -36.5 2.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 9.4 tpt180 -69.71 -48.39 59.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.858 -179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 67.9 m -54.76 -49.75 70.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.876 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.471 HD11 ' HA ' ' A' ' 43' ' ' THR . 29.0 pt -58.51 -42.3 84.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.162 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.519 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 164.42 -50.38 0.29 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.519 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.519 ' C ' ' O ' ' A' ' 47' ' ' GLY . 28.1 mm -27.58 140.36 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.819 0.342 . . . . 0.0 111.098 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.76 ' ND2' ' HB3' ' A' ' 51' ' ' ALA . 0.3 OUTLIER -102.17 37.34 1.89 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . 0.427 ' C ' ' O ' ' A' ' 49' ' ' ASN . 19.7 t-20 35.54 31.11 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.934 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . 0.76 ' HB3' ' ND2' ' A' ' 49' ' ' ASN . . . -122.13 -44.01 2.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.092 179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -92.23 169.18 10.81 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.883 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -64.11 -179.68 0.45 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.113 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . . . . . . . . . 20.2 mt -89.56 145.39 33.6 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.615 0.721 . . . . 0.0 110.885 -179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' O ' ' C ' ' A' ' 56' ' ' SER . 53.8 Cg_endo -69.75 116.22 4.46 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.352 179.855 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 55' ' ' PRO . 2.7 m -34.32 -40.9 0.1 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.853 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.434 ' N ' ' HD2' ' A' ' 57' ' ' LYS . 0.0 OUTLIER -144.11 140.85 29.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.919 179.98 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.554 ' CB ' HD21 ' A' ' 32' ' ' LEU . 1.8 t80 -141.23 152.85 44.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.867 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.584 HD21 ' OD1' ' A' ' 35' ' ' ASP . 83.0 mt -135.7 135.11 39.8 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.893 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.417 ' SG ' ' HG3' ' A' ' 62' ' ' ARG . 10.0 p -68.11 171.97 6.29 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.614 ' CD1' ' N ' ' A' ' 62' ' ' ARG . 54.8 p90 -55.24 -55.9 26.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.874 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.614 ' N ' ' CD1' ' A' ' 61' ' ' PHE . 0.0 OUTLIER -57.15 -31.59 65.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.835 -179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.495 ' O ' ' N ' ' A' ' 66' ' ' LEU . 1.3 m -72.1 -53.66 12.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.85 -179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 63' ' ' CYS . 53.2 mt -34.46 -33.17 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.075 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . 0.491 ' N ' ' O ' ' A' ' 63' ' ' CYS . 32.5 mt-10 -85.0 -43.81 13.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.495 ' N ' ' O ' ' A' ' 63' ' ' CYS . 69.4 mt -57.01 -41.8 79.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.883 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 28.5 p -72.73 156.94 38.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . 0.478 ' N ' ' HD2' ' A' ' 69' ' ' PRO . . . 133.42 -59.92 0.67 Allowed Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.488 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . 0.478 ' HD2' ' N ' ' A' ' 68' ' ' GLY . 53.4 Cg_endo -69.85 -1.61 8.83 Favored 'Trans proline' 0 C--N 1.342 0.221 0 C-N-CA 122.649 2.232 . . . . 0.0 112.319 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 53.8 p -114.12 156.09 24.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.836 -179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 90.9 p -115.67 117.25 29.77 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.507 -179.991 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.469 -0.252 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.6 p 39.88 42.19 1.0 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.819 0.343 . . . . 0.0 110.821 -179.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.2 m -86.48 83.32 7.67 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.864 -179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.31 130.51 2.03 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.521 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.418 ' O ' ' C ' ' A' ' 6' ' ' SER . 86.7 p -165.59 139.47 4.59 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.831 0.348 . . . . 0.0 110.875 -179.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.418 ' C ' ' O ' ' A' ' 5' ' ' SER . 13.8 m -36.24 114.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 163.16 147.2 4.97 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.464 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -119.66 109.71 15.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.738 0.304 . . . . 0.0 110.88 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -114.59 163.62 15.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 11.6 tpp180 -174.02 140.78 0.73 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.838 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -133.78 -126.31 2.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.44 -179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.603 HG23 ' O ' ' A' ' 15' ' ' TRP . 27.1 m -108.43 133.7 52.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.863 0.363 . . . . 0.0 111.094 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' O ' ' C ' ' A' ' 14' ' ' ASN . 0.9 OUTLIER -80.1 -64.92 1.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.917 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . 0.439 ' C ' ' O ' ' A' ' 13' ' ' ASP . 16.0 m120 -33.73 -49.38 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.853 -179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.603 ' O ' HG23 ' A' ' 12' ' ' VAL . 0.8 OUTLIER -106.57 96.9 6.78 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.937 179.967 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.503 ' O ' ' N ' ' A' ' 18' ' ' ASP . 9.8 mmtm -71.52 1.04 7.07 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.927 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 ' C ' ' O ' ' A' ' 16' ' ' LYS . 33.0 m 31.19 37.5 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.583 ' HB3' HG11 ' A' ' 39' ' ' VAL . 7.4 t70 -91.76 126.21 36.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 8.5 t -130.67 144.7 51.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . 0.41 ' HD2' ' N ' ' A' ' 21' ' ' CYS . 1.4 pptp? -43.46 -34.93 1.44 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.927 179.878 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . 0.41 ' N ' ' HD2' ' A' ' 20' ' ' LYS . 66.3 m -52.88 -46.82 68.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 128.42 38.26 0.38 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . . . . . . . . . 58.8 m -96.88 124.02 40.75 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.849 0.357 . . . . 0.0 111.176 -179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.475 ' HG3' ' N ' ' A' ' 25' ' ' ASP . 22.4 pttp -96.18 -42.68 8.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.475 ' N ' ' HG3' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -114.24 175.26 5.55 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.832 179.933 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -56.38 115.62 2.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.855 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -74.87 -58.02 3.55 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.853 179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . 148.38 -37.96 1.04 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.49 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -73.92 153.53 39.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.831 0.348 . . . . 0.0 110.89 -179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 31' ' ' MET . 25.5 ttm180 -44.67 160.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.921 -179.893 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . 0.433 ' N ' ' HG2' ' A' ' 30' ' ' ARG . 37.0 mtm -159.81 168.52 25.66 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.934 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.948 HD22 HG22 ' A' ' 43' ' ' THR . 1.9 pt? -146.55 133.96 20.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.916 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . 0.432 ' HB2' ' NE1' ' A' ' 40' ' ' TRP . . . -77.62 154.36 32.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.063 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' ASP . 1.8 t -104.7 97.33 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.872 -179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 34' ' ' CYS . 6.1 t0 -34.78 -37.47 0.06 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.874 179.914 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.38 -80.4 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.483 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 2.3 p -81.72 -56.74 3.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.847 0.356 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 122.22 36.76 0.68 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.485 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.583 HG11 ' HB3' ' A' ' 18' ' ' ASP . 52.5 t -120.37 137.33 54.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.761 0.315 . . . . 0.0 111.134 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . 0.626 ' C ' ' CD2' ' A' ' 41' ' ' HIS . 25.4 m95 -82.49 166.45 19.31 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . 0.626 ' CD2' ' C ' ' A' ' 40' ' ' TRP . 15.9 m-70 -161.94 150.85 15.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.861 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 26.7 m80 -58.96 101.28 0.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.806 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.948 HG22 HD22 ' A' ' 32' ' ' LEU . 75.5 p -50.04 -17.76 0.45 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.128 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 15.2 ttm-85 -85.2 -60.3 2.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.867 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -28.74 9.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.913 -179.926 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.512 HG13 ' N ' ' A' ' 47' ' ' GLY . 29.5 pt -79.15 -34.6 16.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.13 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.512 ' N ' HG13 ' A' ' 46' ' ' ILE . . . 151.4 -60.01 0.42 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.489 179.903 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.447 HD11 ' HD3' ' A' ' 55' ' ' PRO . 52.1 mt -38.19 138.54 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.794 0.33 . . . . 0.0 111.199 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -138.48 175.05 9.9 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 4.8 p30 -39.93 -57.19 1.66 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -48.87 -60.8 2.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.143 179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.8 t0 -68.52 161.8 27.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.848 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -117.52 176.13 5.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.096 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.506 HD21 HG21 ' A' ' 43' ' ' THR . 27.8 mt -79.85 126.69 79.56 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.626 0.727 . . . . 0.0 110.908 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . 0.447 ' HD3' HD11 ' A' ' 48' ' ' ILE . 53.3 Cg_endo -69.79 151.06 68.78 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.726 2.284 . . . . 0.0 112.318 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 68.5 m -60.01 -42.73 94.95 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.848 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 31.8 mttt -127.24 119.36 26.18 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . 0.502 ' CG ' HD11 ' A' ' 32' ' ' LEU . 28.4 t80 -124.79 126.71 46.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.868 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 6.5 mp -128.63 109.91 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.931 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . . . . . . . . . 17.4 p -45.72 146.22 1.19 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.88 179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.548 ' HA ' HD12 ' A' ' 64' ' ' ILE . 96.3 m-85 -44.52 -50.24 9.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.844 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -41.01 -47.88 3.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.856 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.484 ' O ' ' N ' ' A' ' 66' ' ' LEU . 97.2 m -72.11 -55.2 7.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.891 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.548 HD12 ' HA ' ' A' ' 61' ' ' PHE . 87.8 mt -35.46 -45.74 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.13 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -80.82 -33.82 34.39 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.879 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.484 ' N ' ' O ' ' A' ' 63' ' ' CYS . 1.9 tt -56.55 -39.02 72.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 83.6 p -42.88 112.55 0.37 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.874 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 132.32 -91.73 0.27 Allowed Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.454 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 164.28 35.13 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.717 2.278 . . . . 0.0 112.383 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 19.2 t -156.42 116.76 3.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.867 -179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 31.1 t -60.54 -50.09 74.94 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.178 -0.79 . . . . 0.0 112.526 -179.974 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.276 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.3 m -111.79 98.92 7.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.892 0.377 . . . . 0.0 110.92 -179.802 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 26.7 m -70.0 151.11 45.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.848 -179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 176.14 -171.4 44.41 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.477 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 34.3 t -53.98 119.26 4.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.85 0.357 . . . . 0.0 110.877 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 21.5 p -134.23 152.29 51.74 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.849 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 93.52 167.11 38.03 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' MET . . . . . . . . . . . . . 6.2 tpt -137.69 114.3 10.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.748 0.308 . . . . 0.0 110.868 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -69.48 127.68 33.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.922 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ARG . . . . . . . . . . . . . 39.2 mtm180 -147.24 177.06 9.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . 107.8 -101.43 1.63 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.482 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.552 HG21 ' CD1' ' A' ' 15' ' ' TRP . 7.2 p -123.51 145.17 30.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 120.865 0.364 . . . . 0.0 111.11 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.1 t0 -117.72 -46.74 2.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -42.17 -58.09 2.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TRP . . . . . 0.552 ' CD1' HG21 ' A' ' 12' ' ' VAL . 1.1 p90 -122.8 172.04 8.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.927 179.931 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 27.7 mttt -115.44 112.07 21.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.868 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.471 HG22 HG11 ' A' ' 12' ' ' VAL . 7.0 m -117.26 71.01 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.143 179.831 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ASP . . . . . 0.593 ' OD2' HG11 ' A' ' 39' ' ' VAL . 0.1 OUTLIER -103.0 116.28 32.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.834 179.928 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 16.7 t -132.11 159.48 38.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' LYS . . . . . . . . . . . . . 19.0 pttp -58.11 -29.13 65.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.928 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' CYS . . . . . . . . . . . . . 62.3 m -61.23 -43.78 98.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 113.94 32.3 2.08 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.507 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' THR . . . . . 0.5 ' CG2' ' O ' ' A' ' 25' ' ' ASP . 97.4 m -82.74 121.1 26.45 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.883 0.373 . . . . 0.0 111.139 -179.874 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 4.9 ptmm? -87.49 -37.71 16.69 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.89 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.5 ' O ' ' CG2' ' A' ' 23' ' ' THR . 34.0 m-20 -133.23 174.44 10.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.805 179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASP . . . . . . . . . . . . . 19.0 t70 -58.65 96.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 8.6 t70 -65.8 -62.78 1.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.899 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' GLY . . . . . . . . . . . . . . . -178.54 -31.19 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.496 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLU . . . . . . . . . . . . . 70.5 mm-40 -77.02 140.05 40.24 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.803 0.335 . . . . 0.0 110.916 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 10.8 ttp-105 -64.84 157.76 26.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.85 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' MET . . . . . . . . . . . . . 13.1 mtt -140.47 179.21 6.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.587 HD21 HD13 ' A' ' 46' ' ' ILE . 2.2 pt? -142.53 135.37 28.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ALA . . . . . . . . . . . . . . . -73.49 137.58 44.56 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.151 179.768 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.2 t -82.92 112.16 19.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.926 -179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.5 t0 -46.53 -37.7 8.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.905 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -54.81 -77.1 0.16 Allowed Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.422 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' CYS . . . . . . . . . . . . . 24.7 p -92.15 -48.73 6.56 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.837 0.351 . . . . 0.0 110.879 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 116.09 46.61 0.54 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.469 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.593 HG11 ' OD2' ' A' ' 18' ' ' ASP . 71.1 t -119.2 138.64 49.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.82 0.343 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' TRP . . . . . . . . . . . . . 60.3 m95 -73.94 154.22 39.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' HIS . . . . . . . . . . . . . 22.3 m-70 -154.92 141.09 18.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' HIS . . . . . . . . . . . . . 13.2 m170 -55.62 105.62 0.19 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' THR . . . . . 0.578 HG21 HD21 ' A' ' 54' ' ' LEU . 42.5 p -44.2 -40.46 5.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.15 -179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 7.5 ptm180 -68.3 -47.42 67.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.826 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' CYS . . . . . . . . . . . . . 84.9 m -54.6 -57.16 12.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.853 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.587 HD13 HD21 ' A' ' 32' ' ' LEU . 38.1 pt -55.7 -26.25 19.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.069 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . 0.505 ' O ' ' C ' ' A' ' 48' ' ' ILE . . . 142.71 -52.87 0.63 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 179.93 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ILE . . . . . 0.505 ' C ' ' O ' ' A' ' 47' ' ' GLY . 9.6 mm -29.26 97.53 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.874 0.368 . . . . 0.0 111.099 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ASN . . . . . 0.412 ' N ' ' O ' ' A' ' 47' ' ' GLY . 37.6 m-80 -72.18 173.07 9.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.889 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' ASN . . . . . . . . . . . . . 55.5 t30 -58.72 -33.43 70.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.937 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ALA . . . . . . . . . . . . . . . -76.59 -55.88 5.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.124 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 27.6 t0 -48.29 170.75 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ALA . . . . . . . . . . . . . . . -121.83 173.82 7.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.072 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LEU . . . . . 0.578 HD21 HG21 ' A' ' 43' ' ' THR . 41.2 mt -78.73 122.54 84.89 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.622 0.725 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 160.66 48.88 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.669 2.246 . . . . 0.0 112.304 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 16.9 t -69.37 -40.72 77.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.814 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 18.9 pttp -133.42 130.77 39.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.873 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' PHE . . . . . . . . . . . . . 3.3 t80 -132.3 132.68 43.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.867 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 9.8 mp -115.96 125.56 52.7 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.915 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' CYS . . . . . 0.458 ' O ' ' C ' ' A' ' 61' ' ' PHE . 27.8 p -69.37 147.19 51.38 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' PHE . . . . . 0.458 ' C ' ' O ' ' A' ' 60' ' ' CYS . 43.9 p90 -33.84 -38.13 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ARG . . . . . 0.416 ' N ' ' O ' ' A' ' 60' ' ' CYS . 4.3 tpm_? -65.71 -54.47 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.882 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' CYS . . . . . 0.412 ' O ' ' C ' ' A' ' 64' ' ' ILE . 12.9 m -54.89 -37.83 66.8 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' ILE . . . . . 0.412 ' C ' ' O ' ' A' ' 63' ' ' CYS . 50.5 mm -35.59 -51.55 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.139 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLU . . . . . . . . . . . . . 8.2 mt-10 -95.43 -44.66 7.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.951 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.426 HD23 ' C ' ' A' ' 66' ' ' LEU . 0.4 OUTLIER -53.0 -15.98 0.94 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.905 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 12.1 t -78.65 102.19 7.88 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.924 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLY . . . . . . . . . . . . . . . 168.55 -83.61 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.713 -0.755 . . . . 0.0 112.464 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -4.37 13.87 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.683 2.256 . . . . 0.0 112.394 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.2 t -82.99 121.46 27.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.887 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.8 p -117.47 110.9 18.55 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 CA-C-O 119.111 -0.827 . . . . 0.0 112.529 179.996 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_