data_2dmd_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 2dmd _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 ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.423 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 32.9 t60 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 58' ' ' ILE . 75.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.797 0.249 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CE2' HD12 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG23 ' A' ' 13' ' ' VAL . 24.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.504 ' N ' ' CG2' ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.445 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.848 0.27 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.421 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.494 ' CD2' HG22 ' A' ' 13' ' ' VAL . 11.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.8 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 13' ' ' VAL . 16.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.962 0.411 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.86 0.275 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.521 ' SG ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.521 ' CE1' ' SG ' ' A' ' 70' ' ' CYS . 5.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG22 ' CD2' ' A' ' 31' ' ' HIS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 24' ' ' LEU . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 18' ' ' PHE . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG22 ' A' ' 13' ' ' VAL . 34.7 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.5 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.851 0.271 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 24' ' ' LEU . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.427 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.962 0.41 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 74.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG23 ' A' ' 13' ' ' VAL . 57.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.945 0.403 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.497 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.555 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.555 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.6 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.807 0.253 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CZ ' ' OG ' ' A' ' 49' ' ' SER . 21.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.94 0.4 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.514 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' A' ' 37' ' ' TYR . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.802 0.251 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 87' ' ' HIS . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 69' ' ' ILE . 50.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 31' ' ' HIS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 13' ' ' VAL . 10.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.825 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' CE1' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' HG23 ' A' ' 13' ' ' VAL . 22.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.854 0.272 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.418 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG22 ' A' ' 13' ' ' VAL . 26.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.951 0.405 . . . . 0.0 110.884 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.559 ' CE1' HD12 ' A' ' 58' ' ' ILE . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.489 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.846 0.269 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 3.8 t60 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 31' ' ' HIS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG21 ' A' ' 13' ' ' VAL . 12.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.97 0.414 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 59' ' ' HIS . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.512 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CE1' HD13 ' A' ' 58' ' ' ILE . 51.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.799 0.249 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.618 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' HD12 ' A' ' 24' ' ' LEU . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 18' ' ' PHE . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.618 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 21.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.959 0.409 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.424 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.8 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.265 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.441 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.819 0.258 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.593 HD21 ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.593 ' N ' HD21 ' A' ' 76' ' ' ASN . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.611 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 35.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.932 0.396 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' ' 87' ' ' HIS . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.512 ' CD2' HD13 ' A' ' 69' ' ' ILE . 69.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 13' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' ' 58' ' ' ILE . 66.7 t60 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.437 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.862 0.276 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' ILE . 6.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.49 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 17.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.981 0.419 . . . . 0.0 110.986 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 26.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.805 0.252 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 13' ' ' VAL . 20.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 20.6 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 96.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.811 0.255 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' HIS . . . . . 0.403 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.002 0.43 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' HIS . . . . . 0.441 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.824 0.26 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ARG . . . . . 0.412 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' SER . . . . . 0.412 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -134.07 134.46 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.83 -45.49 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.14 155.71 21.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -137.85 146.95 44.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -156.11 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 178.76 35.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.55 48.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -127.08 95.98 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.541 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 32.9 t60 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 -84.05 73.79 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -119.89 79.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.64 90.38 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 29.4 m -96.28 57.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.39 . . . . 0.0 111.096 -179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.86 119.16 54.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.705 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.83 7.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.473 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 -106.3 91.69 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.439 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.439 ' N ' ' CG2' ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.473 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG12 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.436 ' CD2' HG12 ' A' ' 58' ' ' ILE . 75.6 m-70 -74.13 115.33 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -73.09 101.81 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -140.87 122.47 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -96.49 96.56 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -127.46 74.94 77.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.45 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' C ' ' HD3' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -64.0 86.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -83.51 -48.98 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.61 55.76 1.41 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 90' ' ' ASP . 18.1 p-10 -74.6 86.41 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -69.59 113.24 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -156.56 -158.14 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 150.67 68.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -170.82 115.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.7 m -100.43 166.2 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.478 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -168.39 140.7 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -161.25 170.01 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.7 146.06 10.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.35 145.18 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -87.34 120.34 28.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 70.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -164.33 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -95.68 145.25 25.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.412 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CE2' HD12 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.49 HD12 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG23 ' A' ' 13' ' ' VAL . 24.6 m-70 -98.71 84.99 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 36.1 p -126.83 159.72 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.43 -137.77 5.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.43 -16.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.29 122.44 82.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.907 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.73 19.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -107.6 95.09 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.504 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.504 ' N ' ' CG2' ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.445 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.445 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 -72.55 71.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' ASP . 3.4 m -66.64 -45.55 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' SER . 32.2 m-20 -35.88 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -40.23 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 9.5 mpt_? -140.26 131.72 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -24.55 29.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.421 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.421 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -55.94 -53.86 51.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 p -102.69 106.56 17.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.23 -82.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.61 126.31 26.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -78.15 -56.64 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.8 148.85 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.64 43.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -39.14 128.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -116.55 118.64 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.502 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -134.28 165.76 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -124.39 169.48 11.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 173.25 14.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -118.16 147.85 42.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -152.34 130.48 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.35 163.94 17.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.48 11.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -88.69 106.03 18.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.401 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.494 HG22 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.545 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.494 ' CD2' HG22 ' A' ' 13' ' ' VAL . 11.9 m-70 -89.36 118.56 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.52 141.98 43.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.75 76.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.21 -30.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.403 ' CB ' ' HB1' ' A' ' 45' ' ' ALA . 11.1 mptt -126.66 70.83 72.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.55 23.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.28 96.62 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -58.49 -36.99 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.4 m -51.36 -41.4 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -107.12 -178.53 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.79 153.95 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 58' ' ' ILE . 13.3 mtm-85 -135.04 105.92 10.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -31.72 19.71 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -65.58 80.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.2 t -150.37 139.82 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' THR . . . 35.0 71.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 127.1 32.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.71 146.14 4.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.67 26.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -144.62 152.25 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.5 p -174.28 171.69 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.49 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -161.93 150.46 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -155.94 137.95 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 99.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -116.02 132.82 56.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.21 122.06 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -54.48 113.73 3.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 162.19 43.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.394 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -113.44 100.63 8.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.54 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.54 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.447 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 13' ' ' VAL . 16.5 m-70 -107.71 64.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -109.24 61.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.42 -131.53 47.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.86 35.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 8.9 mptt -113.09 73.46 1.68 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.871 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.34 31.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -65.58 91.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 -66.77 111.38 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 p -89.68 169.72 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.01 149.69 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -114.24 89.32 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.405 ' HG2' ' C ' ' A' ' 74' ' ' SER . 75.7 mtm180 -126.18 87.56 55.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -34.44 14.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.405 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.1 -36.7 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -163.51 142.68 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.17 -172.27 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -64.19 117.12 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -134.55 87.51 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.97 -159.23 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.82 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -129.33 118.91 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 p -95.96 -0.99 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.517 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -155.7 165.23 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.86 139.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 131.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -169.27 150.33 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -171.33 167.09 6.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 91.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.7 m-70 -123.78 96.93 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG22 ' CD2' ' A' ' 31' ' ' HIS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.52 ' CD2' HD12 ' A' ' 24' ' ' LEU . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.52 HD12 ' CD2' ' A' ' 18' ' ' PHE . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG22 ' A' ' 13' ' ' VAL . 34.7 m-70 -38.75 -56.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 24.5 m -142.51 156.71 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 76.68 139.13 0.94 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LYS . 4.3 m -143.63 165.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' VAL . 18.8 mttm -30.28 94.3 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' VAL . 53.2 Cg_endo -69.85 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.467 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 -66.65 120.4 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.467 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.584 ' CE1' ' CD1' ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.584 ' CD1' ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.5 m-70 -63.03 -176.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' ASP . 67.2 p 41.33 25.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' SER . 1.0 OUTLIER 34.57 42.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -36.57 142.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 49.4 mtt180 55.4 53.24 8.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.8 Cg_endo -69.75 -18.44 37.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.86 87.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.2 p -125.48 -53.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.06 52.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.02 -55.4 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -83.89 -47.93 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.71 153.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.21 13.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.4 m -68.36 169.85 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.2 t -132.04 148.45 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -136.21 161.09 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -173.72 148.56 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 139.82 2.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -153.58 113.44 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -151.62 127.21 10.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 67.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -84.54 99.35 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.534 ' CD2' HD22 ' A' ' 24' ' ' LEU . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.427 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.427 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.534 HD22 ' CD2' ' A' ' 18' ' ' PHE . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -44.85 115.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 p -57.03 160.27 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.69 -124.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.94 138.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 34.3 mmtp -145.7 141.17 16.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.24 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.1 m-85 -107.47 104.53 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.537 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 74.2 m-70 -72.83 80.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -81.15 -59.51 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.34 136.97 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -55.23 172.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.438 ' HD3' ' CA ' ' A' ' 74' ' ' SER . 33.6 mtt85 -146.87 121.4 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -34.91 13.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.274 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.438 ' CA ' ' HD3' ' A' ' 63' ' ' ARG . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -65.56 86.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.5 p -112.09 103.93 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.07 -144.58 3.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.42 46.99 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 118.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.99 73.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.06 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -77.18 102.93 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p 41.8 41.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.529 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -166.86 169.6 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.97 161.03 31.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 161.27 30.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -160.98 172.37 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.99 149.52 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.33 74.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 169.36 18.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -119.5 145.95 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.487 HG23 ' CE1' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.487 ' CE1' HG23 ' A' ' 13' ' ' VAL . 57.8 m-70 -88.16 35.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.0 t -171.25 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.7 -122.39 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 -175.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 31.5 mtpt 62.5 54.31 2.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.3 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 -94.73 94.5 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.461 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.461 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.497 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.555 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.555 ' CE1' HD13 ' A' ' 58' ' ' ILE . 18.6 m-70 -70.8 87.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 t -124.72 -60.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 56.99 46.72 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -95.64 39.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.452 ' HD3' ' N ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -115.8 128.52 25.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.31 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -69.26 83.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.9 t -133.57 124.95 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 50.86 63.89 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.14 168.73 18.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 p -109.46 41.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 40.3 -158.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.272 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.9 t -79.91 126.15 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.7 p -74.54 -47.88 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -162.7 172.89 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -130.64 174.32 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -156.09 6.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -149.29 166.07 30.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -146.95 165.68 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.82 -171.21 12.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.435 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.47 54.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.64 119.21 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.558 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.558 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 -36.85 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.458 ' CG2' ' O ' ' A' ' 32' ' ' THR . 3.0 t -166.35 122.76 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.96 -94.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 14.4 m -117.78 97.96 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.086 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -125.57 116.28 24.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -30.82 21.88 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.401 ' CZ ' ' OG ' ' A' ' 49' ' ' SER . 21.0 m-85 -91.18 90.17 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.514 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.514 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.401 ' OG ' ' CZ ' ' A' ' 37' ' ' TYR . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . 0.428 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.428 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -71.44 -175.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.9 m -127.5 100.08 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.97 150.41 48.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 63' ' ' ARG . 8.9 mm-40 -69.53 -50.33 46.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ppt_? 30.84 54.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.415 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.451 HG21 ' CE1' ' A' ' 87' ' ' HIS . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.451 ' CE1' HG21 ' A' ' 69' ' ' ILE . 50.5 m-70 -59.95 -68.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.9 p -46.42 167.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.77 165.3 36.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -92.56 87.35 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -118.27 -50.33 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.66 69.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 p -175.02 164.24 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -43.12 141.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.81 154.26 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -161.89 176.52 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.64 27.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -171.65 173.94 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -174.3 154.36 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 85.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.31 62.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -115.3 147.95 39.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.467 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.579 HG22 ' CD2' ' A' ' 31' ' ' HIS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.579 ' CD2' HG22 ' A' ' 13' ' ' VAL . 10.9 m-70 -111.84 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -56.84 116.13 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.18 127.63 7.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.93 43.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 75.84 74.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.41 23.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 55.7 m-85 -74.19 98.24 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.498 ' CZ ' ' HB1' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.498 ' HB1' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 -44.86 97.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -120.79 86.28 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -110.42 47.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.66 -25.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.0 mpt_? -53.96 150.25 15.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 -179.88 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . 0.458 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.458 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.33 83.61 1.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.07 154.48 32.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.35 -45.93 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.99 105.76 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -66.82 103.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.79 129.07 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.74 44.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -108.51 156.71 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -109.36 -49.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -94.05 110.81 22.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.4 t -36.49 -58.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.18 -156.12 20.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -165.99 158.15 14.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -159.4 143.75 15.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.0 95.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.93 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.313 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.417 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 -95.41 115.55 27.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.506 HG23 ' CE1' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.417 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.439 ' O ' ' C ' ' A' ' 25' ' ' LYS . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.506 ' CE1' HG23 ' A' ' 13' ' ' VAL . 22.8 m-70 -42.93 -53.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -69.42 146.62 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.15 111.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.01 -175.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.447 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 37.6 mttt 63.15 53.97 1.8 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.73 -2.03 9.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -92.3 92.72 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.407 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.407 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.9 121.16 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m 62.39 47.05 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.78 135.81 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.57 132.76 35.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.471 ' CZ ' ' HB3' ' A' ' 73' ' ' ALA . 28.8 mtm180 -137.18 129.38 16.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.55 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.408 ' C ' ' H ' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -76.92 88.56 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 t -167.75 132.17 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.06 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -42.52 106.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -157.53 139.83 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.98 -104.66 1.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 m -119.11 121.82 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 t -41.85 152.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.419 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -167.97 174.17 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -167.13 175.56 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.57 -169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -174.55 166.56 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.16 178.29 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.67 143.29 5.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.65 18.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 52.5 m-70 -124.52 123.53 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.414 ' SG ' HG21 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.561 HG22 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.418 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.418 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.421 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.561 ' CD2' HG22 ' A' ' 13' ' ' VAL . 26.7 m-70 -58.04 -52.41 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -54.87 162.61 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.99 76.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -110.91 44.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.444 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 59.7 mttt 70.26 54.49 0.45 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.74 0.54 5.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 92.0 m-85 -101.5 98.04 8.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.559 ' CE1' HD12 ' A' ' 58' ' ' ILE . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.489 ' HD2' ' N ' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.559 HD12 ' CE1' ' A' ' 55' ' ' HIS . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -65.14 -57.09 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -131.21 142.42 50.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 163.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.6 163.64 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -65.65 145.83 99.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.0 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 3.8 t60 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 -72.73 88.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 1.6 p -161.54 136.27 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 46.48 58.64 5.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.73 157.25 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.7 t -119.61 134.33 55.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.88 -163.99 35.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.98 34.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.9 p -84.35 122.48 28.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 t 48.62 42.09 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -173.06 134.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.8 177.84 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 119.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -158.6 130.11 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -161.09 165.55 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.68 -168.14 12.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 152.97 68.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -119.44 94.81 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG21 ' CD2' ' A' ' 31' ' ' HIS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.517 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 11' ' ' CYS . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.517 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG21 ' A' ' 13' ' ' VAL . 12.7 m-70 -40.3 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -149.0 162.31 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.84 -22.87 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -38.1 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 13.6 mptt -121.6 68.61 22.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -1.84 9.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.366 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -132.79 100.7 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.4 ' HA ' ' CD2' ' A' ' 59' ' ' HIS . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.512 HD13 ' CE1' ' A' ' 59' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.512 ' CE1' HD13 ' A' ' 58' ' ' ILE . 51.4 m-70 -76.56 49.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -151.48 -176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -55.89 166.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.53 157.34 23.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.419 ' HG2' ' C ' ' A' ' 74' ' ' SER . 3.9 mpt_? -106.3 152.66 40.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.22 32.3 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.419 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 47.5 m-70 -55.14 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -55.47 141.83 35.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.03 120.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.47 42.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.1 p -96.35 122.97 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.31 -169.7 22.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.92 51.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -92.65 143.66 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.9 t -61.92 118.83 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.462 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -162.93 149.15 12.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.3 175.22 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.17 96.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -123.1 -49.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -50.39 135.59 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.48 161.06 19.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 125.5 12.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -127.14 115.03 18.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.618 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CE2' HD12 ' A' ' 24' ' ' LEU . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.414 HD12 ' CE2' ' A' ' 18' ' ' PHE . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.618 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 21.1 m-70 -53.32 172.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -81.72 178.3 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.05 -110.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.485 ' N ' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m -111.52 82.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.485 ' HE3' ' N ' ' A' ' 34' ' ' VAL . 0.0 OUTLIER -118.51 76.81 13.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -39.52 6.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 24.6 m-85 -64.19 97.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.889 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.437 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.437 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.424 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.8 m-70 -75.31 73.0 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.7 m -117.14 166.32 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -64.15 158.73 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.38 169.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -128.53 75.31 79.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.02 27.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.412 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -59.76 87.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.4 p -122.44 132.96 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.75 -165.81 27.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 92.11 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -144.66 123.05 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.06 148.48 17.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.58 16.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -100.3 41.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -171.41 139.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -152.49 176.08 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -153.0 174.66 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 -158.31 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -167.99 172.05 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -154.41 177.75 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 89.23 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -169.13 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.441 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 -100.5 141.45 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . 0.418 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.441 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.48 ' CD1' ' C ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 -45.53 112.16 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -156.75 133.28 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.88 139.89 3.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.4 m -82.53 42.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 84.35 60.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.2 3.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -117.92 91.5 3.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.406 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.406 ' N ' ' CG2' ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.453 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 -69.82 173.16 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 61' ' ' ASP . 1.5 t -90.89 -46.16 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.7 p30 -33.1 115.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.3 -29.07 64.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mtp180 58.04 54.96 6.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.563 0.697 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 54.3 Cg_endo -69.77 -19.36 36.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.593 HD21 ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.593 ' N ' HD21 ' A' ' 76' ' ' ASN . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -65.0 85.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.7 t -145.81 135.36 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.72 92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -127.17 114.44 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 m -71.98 121.58 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.6 124.29 5.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.79 29.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.1 p -75.44 161.64 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -114.45 -44.97 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.5 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -93.91 -58.74 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 41.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 75.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -54.55 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 p -174.5 175.31 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.12 -156.62 8.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.46 57.01 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -116.4 91.01 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.611 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.403 ' C ' HD11 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.611 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 35.6 m-70 -65.1 -59.15 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.8 m -33.43 141.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.61 47.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 5.4 m -59.72 -174.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.412 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 48.5 mttt -97.74 102.29 12.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 -47.58 102.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 -79.02 -43.92 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 p -100.9 39.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -87.31 53.54 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -133.29 39.62 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.429 ' CB ' ' HB3' ' A' ' 73' ' ' ALA . 0.3 OUTLIER -130.55 120.04 18.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 -179.887 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.02 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.512 HD13 ' CD2' ' A' ' 87' ' ' HIS . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.429 ' HB3' ' CB ' ' A' ' 63' ' ' ARG . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.512 ' CD2' HD13 ' A' ' 69' ' ' ILE . 69.2 m-70 -66.17 79.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -136.63 142.28 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.37 105.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -54.91 -46.83 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m 60.66 42.71 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.1 147.93 18.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t 63.61 41.47 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.6 p -93.36 150.68 20.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -171.46 173.57 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -161.43 178.15 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.3 166.21 25.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -169.07 171.49 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.17 152.45 51.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.9 110.08 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 -92.63 146.96 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.582 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.468 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.468 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.582 ' CD2' HG23 ' A' ' 13' ' ' VAL . 15.1 m-70 -116.8 86.49 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 m -164.97 126.72 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.33 143.98 3.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.1 138.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -140.18 140.32 23.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 52.5 m-85 -82.46 95.42 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.464 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.437 ' CE1' HD13 ' A' ' 58' ' ' ILE . 66.7 t60 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.437 HD13 ' CE1' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.88 82.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m -83.03 -65.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.79 164.08 31.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -84.88 156.61 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 41.7 mtt180 -123.38 109.96 30.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.904 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -36.69 10.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . 0.557 HD12 ' CD2' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.557 ' CD2' HD12 ' A' ' 69' ' ' ILE . 6.2 m-70 -103.59 36.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -171.52 136.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 49.86 2.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.12 86.66 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.5 p -155.46 125.18 6.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.5 -97.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 146.85 61.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 m -64.43 112.99 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 m -100.14 168.16 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.524 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -40.38 -52.75 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -153.62 117.87 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 149.61 46.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -94.83 149.51 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -87.61 -54.47 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 80.98 0.95 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -177.02 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -123.71 121.76 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.49 HG23 ' CD2' ' A' ' 31' ' ' HIS . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.538 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.538 ' CE1' ' SG ' ' A' ' 30' ' ' CYS . 17.4 m-70 -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 m -149.93 119.22 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.69 78.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.14 -36.66 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -44.47 108.92 0.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.63 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 95.4 m-85 -56.62 91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 26.1 m-70 -85.68 87.02 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 t -89.12 117.88 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.37 -43.39 92.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ARG . 7.7 tm-20 -48.36 122.89 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' GLU . 13.9 ptt180 -34.53 97.82 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.412 ' N ' ' O ' ' A' ' 62' ' ' GLU . 53.8 Cg_endo -69.8 -42.91 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 88' ' ' THR . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.33 77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 86' ' ' SER . 15.3 t -160.42 152.45 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.58 -46.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -121.21 141.87 50.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -173.99 176.97 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.19 145.52 4.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 110.5 2.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.5 p -149.39 173.93 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t 67.2 43.81 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.511 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t 58.14 47.02 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -48.97 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.1 175.22 36.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -172.52 169.0 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -96.64 175.82 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.8 81.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -69.11 100.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.565 HG22 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.565 ' CD2' HG22 ' A' ' 13' ' ' VAL . 20.8 m-70 -35.43 130.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.48 ' HA ' ' CB ' ' A' ' 45' ' ' ALA . 15.3 t -162.62 155.54 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . 159.92 -156.86 28.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 27.3 m -65.93 72.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.406 ' N ' ' O ' ' A' ' 33' ' ' GLY . 0.4 OUTLIER -111.33 119.49 45.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -14.94 36.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.415 ' HB3' ' CD2' ' A' ' 52' ' ' LEU . 26.1 m-85 -104.99 86.41 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.48 ' CB ' ' HA ' ' A' ' 32' ' ' THR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.415 ' CD2' ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.5 t60 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.26 -178.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t 56.93 39.66 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.2 p-10 -123.02 -53.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 61' ' ' ASP . 8.0 tm-20 -36.73 154.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.37 137.84 85.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.55 14.39 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.222 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.401 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.425 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -69.16 85.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 p -90.68 -43.6 10.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.57 136.21 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -40.73 135.85 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 t -78.11 102.89 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.77 150.76 22.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.01 15.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -94.23 99.63 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 m -101.07 132.55 46.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -160.5 174.64 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -171.32 166.43 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.21 174.1 23.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -161.87 161.51 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -121.65 162.6 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.77 83.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.64 20.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -125.47 120.86 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.468 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.548 ' CG2' ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.442 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.548 ' CD2' ' CG2' ' A' ' 13' ' ' VAL . 20.6 m-70 -34.86 119.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -173.69 139.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.57 -167.61 30.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' LYS . 34.2 m -68.41 177.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . 0.443 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 0.0 OUTLIER 34.97 54.19 1.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 -110.47 106.47 15.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.418 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.418 ' N ' ' CG2' ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . 0.421 ' HB2' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' SER . . . . . 0.421 ' CB ' ' HB2' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 96.2 m-70 -70.3 98.34 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASP . 47.5 t -102.21 78.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' SER . 31.7 m-20 35.28 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 119.55 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.472 ' CD ' ' HB1' ' A' ' 73' ' ' ALA . 9.2 ttp-105 52.43 52.66 11.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.75 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.472 ' HB1' ' CD ' ' A' ' 63' ' ' ARG . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.424 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.414 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 -37.07 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 t -39.25 140.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 92.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.25 91.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.1 m -125.59 86.44 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.51 -174.31 46.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 0.74 5.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -139.18 130.67 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.2 m -58.56 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -136.57 146.58 46.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.92 -42.98 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.4 168.81 21.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -158.67 166.04 32.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -152.58 163.62 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 106.5 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.2 63.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.631 2.221 . . . . 0.0 112.299 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' HIS . . . . . 0.403 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 -94.57 115.47 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . 0.542 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' LYS . . . . . 0.403 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.542 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -50.42 150.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . 0.404 ' HG1' ' N ' ' A' ' 33' ' ' GLY . 8.8 t -128.09 151.94 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.915 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.404 ' N ' ' HG1' ' A' ' 32' ' ' THR . . . -158.63 -105.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.6 m 41.81 32.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 111.123 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.47 113.9 12.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -37.55 8.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.435 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 -78.0 87.67 4.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.435 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ILE . . . . . 0.441 HG13 ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' HIS . . . . . 0.441 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 -60.67 -30.09 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m -88.13 46.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -173.09 110.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -108.11 172.11 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 42.3 mtm180 -130.32 129.4 22.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -40.91 4.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' HB3' ' CD2' ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.418 ' CD2' ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ARG . . . . . 0.412 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' SER . . . . . 0.412 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' GLY . 36.4 m-70 -57.17 -59.0 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.4 p -40.17 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 87' ' ' HIS . . . -114.56 118.68 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -117.4 94.52 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -110.57 -50.85 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.97 77.6 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.18 36.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.6 m -46.64 118.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -70.95 -49.75 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.53 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 13' ' ' VAL . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.616 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.676 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.616 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 53.6 t-80 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.605 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.541 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 77.9 m80 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.797 0.249 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.513 ' CD2' HD13 ' A' ' 69' ' ' ILE . 62.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.447 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.615 ' CE2' HD13 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 19.8 m170 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.567 ' N ' HG23 ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.848 0.27 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.757 HD12 ' H ' ' A' ' 69' ' ' ILE . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 13' ' ' VAL . 11.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' H ' HG23 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.8 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.648 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 13' ' ' VAL . 16.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.962 0.411 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.86 0.275 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 4.4 m170 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 24' ' ' LEU . 16.7 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 9' ' ' HIS . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 13' ' ' VAL . 34.7 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.645 ' CE1' HD13 ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 43.3 m80 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.851 0.271 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HD22 ' A' ' 52' ' ' LEU . 29.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.962 0.41 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 37' ' ' TYR . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 76.7 m80 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 80' ' ' LEU . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 65' ' ' PHE . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 65' ' ' PHE . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 57.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.945 0.403 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 53' ' ' ASN . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 58' ' ' ILE . 18.6 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.807 0.253 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 24' ' ' LEU . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 52' ' ' LEU . 21.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.94 0.4 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 73.7 m80 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.802 0.251 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 69' ' ' ILE . 50.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 11' ' ' CYS . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 ' HD3' ' A' ' 29' ' ' ARG . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 10.3 t-80 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.767 ' HD3' HG22 ' A' ' 26' ' ' THR . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 13' ' ' VAL . 10.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.584 ' HB3' HD22 ' A' ' 52' ' ' LEU . 55.7 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.766 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' TYR . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.825 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.604 ' CD2' HG21 ' A' ' 13' ' ' VAL . 22.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' ILE . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.854 0.272 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.556 ' HB3' HD22 ' A' ' 24' ' ' LEU . 52.5 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.847 HG21 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 9' ' ' HIS . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.847 ' CD2' HG21 ' A' ' 13' ' ' VAL . 26.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.672 ' HB3' HD22 ' A' ' 52' ' ' LEU . 92.0 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.951 0.405 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.846 0.269 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 1.2 t-80 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.488 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 13' ' ' VAL . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.703 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.412 ' ND1' HG21 ' A' ' 13' ' ' VAL . 4.2 m80 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.97 0.414 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.478 HG23 ' SG ' ' A' ' 42' ' ' CYS . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 41' ' ' THR . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' ILE . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' ASN . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 58' ' ' ILE . 33.5 m170 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.799 0.249 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.785 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 69' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.832 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.832 ' CD2' HG21 ' A' ' 13' ' ' VAL . 21.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' HB3' HD22 ' A' ' 52' ' ' LEU . 24.6 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.959 0.409 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 53' ' ' ASN . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 67.2 m80 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.265 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 20' ' ' ARG . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.547 ' N ' HG23 ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.439 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.819 0.258 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' SER . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.873 HG21 ' CG ' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.873 ' CG ' HG21 ' A' ' 13' ' ' VAL . 35.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.932 0.396 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 42' ' ' CYS . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' H ' HG23 ' A' ' 41' ' ' THR . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.668 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 49' ' ' SER . 2.4 m-80 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG21 ' A' ' 13' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 52' ' ' LEU . 52.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' ILE . 45.5 t-80 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.862 0.276 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.442 HD13 ' CB ' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.442 ' CB ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' VAL . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 30' ' ' CYS . 17.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 52' ' ' LEU . 95.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.981 0.419 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 42' ' ' CYS . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 41' ' ' THR . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' ASN . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 9.4 m80 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.805 0.252 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 80' ' ' LEU . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 82' ' ' VAL . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 65' ' ' PHE . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 84' ' ' LEU . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 79' ' ' GLN . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 81' ' ' THR . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.819 ' HB3' HD22 ' A' ' 52' ' ' LEU . 26.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' ILE . 55.7 t-80 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 78.6 m80 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.548 ' HB3' HD22 ' A' ' 80' ' ' LEU . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 65' ' ' PHE . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.508 HG21 ' ND1' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.508 ' ND1' HG21 ' A' ' 13' ' ' VAL . 5.9 m80 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.575 ' N ' HG23 ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 70.7 m80 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.811 0.255 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 80' ' ' LEU . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 65' ' ' PHE . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 29' ' ' ARG . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.534 ' HD2' HG23 ' A' ' 26' ' ' THR . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.002 0.43 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' SER . . . . . 0.633 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 59' ' ' HIS . . . . . 0.427 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.824 0.26 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 65' ' ' PHE . . . . . 0.969 ' HB3' HD22 ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.969 HD22 ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 86' ' ' SER . . . . . 0.433 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -134.07 134.46 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.83 -45.49 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.14 155.71 21.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -137.85 146.95 44.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -156.11 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 178.76 35.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.55 48.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -127.08 95.98 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 13' ' ' VAL . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.676 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 32.9 t60 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 -84.05 73.79 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -119.89 79.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.64 90.38 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 34' ' ' VAL . 29.4 m -96.28 57.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.39 . . . . 0.0 111.096 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.86 119.16 54.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.705 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.83 7.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 -106.3 91.69 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.605 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.541 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' CD2' HG12 ' A' ' 58' ' ' ILE . 75.6 m-70 -74.13 115.33 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -73.09 101.81 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -140.87 122.47 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -96.49 96.56 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -127.46 74.94 77.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.45 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.513 ' CD2' HD13 ' A' ' 69' ' ' ILE . 62.9 m-70 -64.0 86.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -83.51 -48.98 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.61 55.76 1.41 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 p-10 -74.6 86.41 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -69.59 113.24 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -156.56 -158.14 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 150.67 68.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -170.82 115.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.7 m -100.43 166.2 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.478 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -168.39 140.7 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -161.25 170.01 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.7 146.06 10.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.35 145.18 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -87.34 120.34 28.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 70.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -164.33 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -95.68 145.25 25.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.615 ' CE2' HD13 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 32' ' ' THR . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 24.6 m-70 -98.71 84.99 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 29' ' ' ARG . 36.1 p -126.83 159.72 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.43 -137.77 5.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.43 -16.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -67.29 122.44 82.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.73 19.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -107.6 95.09 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.567 ' N ' HG23 ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 -72.55 71.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' ASP . 3.4 m -66.64 -45.55 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' SER . 32.2 m-20 -35.88 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -40.23 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.689 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 9.5 mpt_? -140.26 131.72 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -24.55 29.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.689 ' HB1' ' CB ' ' A' ' 63' ' ' ARG . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -55.94 -53.86 51.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 p -102.69 106.56 17.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.23 -82.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.61 126.31 26.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -78.15 -56.64 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.8 148.85 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.64 43.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -39.14 128.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -116.55 118.64 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.502 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -134.28 165.76 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -124.39 169.48 11.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 173.25 14.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -118.16 147.85 42.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -152.34 130.48 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.35 163.94 17.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.48 11.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -88.69 106.03 18.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 13' ' ' VAL . 11.9 m-70 -89.36 118.56 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.52 141.98 43.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.75 76.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.21 -30.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 11.1 mptt -126.66 70.83 72.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.55 23.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.28 96.62 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -58.49 -36.99 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.4 m -51.36 -41.4 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -107.12 -178.53 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.79 153.95 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 58' ' ' ILE . 13.3 mtm-85 -135.04 105.92 10.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -31.72 19.71 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.648 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -65.58 80.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.2 t -150.37 139.82 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' THR . . . 35.0 71.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 127.1 32.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.71 146.14 4.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.67 26.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -144.62 152.25 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.5 p -174.28 171.69 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.49 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -161.93 150.46 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -155.94 137.95 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 99.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -116.02 132.82 56.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.21 122.06 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -54.48 113.73 3.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 162.19 43.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.394 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -113.44 100.63 8.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 13' ' ' VAL . 16.5 m-70 -107.71 64.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -109.24 61.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.42 -131.53 47.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.86 35.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 8.9 mptt -113.09 73.46 1.68 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.34 31.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -65.58 91.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 35' ' ' LYS . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 -66.77 111.38 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 p -89.68 169.72 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.01 149.69 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -114.24 89.32 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 74' ' ' SER . 75.7 mtm180 -126.18 87.56 55.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -34.44 14.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.401 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.1 -36.7 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -163.51 142.68 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.17 -172.27 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -64.19 117.12 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -134.55 87.51 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.97 -159.23 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.82 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -129.33 118.91 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 p -95.96 -0.99 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.517 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -155.7 165.23 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.86 139.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 131.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -169.27 150.33 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -171.33 167.09 6.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 91.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 24' ' ' LEU . 16.7 m-70 -123.78 96.93 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 9' ' ' HIS . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 13' ' ' VAL . 34.7 m-70 -38.75 -56.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' GLY . 24.5 m -142.51 156.71 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 32' ' ' THR . . . 76.68 139.13 0.94 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LYS . 4.3 m -143.63 165.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' VAL . 18.8 mttm -30.28 94.3 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' VAL . 53.2 Cg_endo -69.85 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 -66.65 120.4 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.645 ' CE1' HD13 ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.5 m-70 -63.03 -176.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' ASP . 67.2 p 41.33 25.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' SER . 1.0 OUTLIER 34.57 42.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -36.57 142.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 49.4 mtt180 55.4 53.24 8.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.8 Cg_endo -69.75 -18.44 37.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' THR . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.86 87.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 85' ' ' ARG . 13.2 p -125.48 -53.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.06 52.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.02 -55.4 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -83.89 -47.93 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.71 153.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.21 13.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.4 m -68.36 169.85 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.2 t -132.04 148.45 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -136.21 161.09 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -173.72 148.56 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 139.82 2.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -153.58 113.44 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -151.62 127.21 10.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 67.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -84.54 99.35 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -44.85 115.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 p -57.03 160.27 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.69 -124.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.94 138.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 34.3 mmtp -145.7 141.17 16.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.24 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HD22 ' A' ' 52' ' ' LEU . 29.1 m-85 -107.47 104.53 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 35' ' ' LYS . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 37' ' ' TYR . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 74.2 m-70 -72.83 80.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -81.15 -59.51 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.34 136.97 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -55.23 172.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HD3' ' CA ' ' A' ' 74' ' ' SER . 33.6 mtt85 -146.87 121.4 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -34.91 13.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.274 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 80' ' ' LEU . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 65' ' ' PHE . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.461 ' CA ' ' HD3' ' A' ' 63' ' ' ARG . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 65' ' ' PHE . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -65.56 86.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.5 p -112.09 103.93 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.07 -144.58 3.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.42 46.99 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 118.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.99 73.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.06 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -77.18 102.93 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p 41.8 41.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.529 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -166.86 169.6 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.97 161.03 31.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 161.27 30.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -160.98 172.37 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.99 149.52 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.33 74.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 169.36 18.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -119.5 145.95 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 57.8 m-70 -88.16 35.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 32' ' ' THR . 9.0 t -171.25 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.7 -122.39 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 -175.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 31.5 mtpt 62.5 54.31 2.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.3 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 -94.73 94.5 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 53' ' ' ASN . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 58' ' ' ILE . 18.6 m-70 -70.8 87.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 t -124.72 -60.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 56.99 46.72 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -95.64 39.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -115.8 128.52 25.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.31 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -69.26 83.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 88' ' ' THR . 9.9 t -133.57 124.95 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 50.86 63.89 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.14 168.73 18.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 p -109.46 41.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 40.3 -158.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.272 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.9 t -79.91 126.15 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.7 p -74.54 -47.88 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -162.7 172.89 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -130.64 174.32 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -156.09 6.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -149.29 166.07 30.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -146.95 165.68 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.82 -171.21 12.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.435 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.47 54.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.64 119.21 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 24' ' ' LEU . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 -36.85 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 32' ' ' THR . 3.0 t -166.35 122.76 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.96 -94.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 34' ' ' VAL . 14.4 m -117.78 97.96 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.086 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -125.57 116.28 24.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -30.82 21.88 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 52' ' ' LEU . 21.0 m-85 -91.18 90.17 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 35' ' ' LYS . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -71.44 -175.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.9 m -127.5 100.08 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.97 150.41 48.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 63' ' ' ARG . 8.9 mm-40 -69.53 -50.33 46.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ppt_? 30.84 54.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 69' ' ' ILE . 50.5 m-70 -59.95 -68.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.9 p -46.42 167.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.77 165.3 36.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -92.56 87.35 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -118.27 -50.33 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.66 69.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 p -175.02 164.24 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -43.12 141.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.81 154.26 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -161.89 176.52 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.64 27.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -171.65 173.94 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -174.3 154.36 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 85.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.31 62.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -115.3 147.95 39.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 11' ' ' CYS . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 ' HD3' ' A' ' 29' ' ' ARG . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.767 ' HD3' HG22 ' A' ' 26' ' ' THR . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 13' ' ' VAL . 10.9 m-70 -111.84 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -56.84 116.13 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.18 127.63 7.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.93 43.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 75.84 74.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.41 23.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.584 ' HB3' HD22 ' A' ' 52' ' ' LEU . 55.7 m-85 -74.19 98.24 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.766 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' TYR . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 -44.86 97.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -120.79 86.28 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -110.42 47.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.66 -25.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.516 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 2.0 mpt_? -53.96 150.25 15.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.33 83.61 1.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.07 154.48 32.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.35 -45.93 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.99 105.76 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -66.82 103.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.79 129.07 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.74 44.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -108.51 156.71 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -109.36 -49.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -94.05 110.81 22.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.4 t -36.49 -58.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.18 -156.12 20.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -165.99 158.15 14.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -159.4 143.75 15.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.0 95.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.93 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.313 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 -95.41 115.55 27.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.604 ' CD2' HG21 ' A' ' 13' ' ' VAL . 22.8 m-70 -42.93 -53.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -69.42 146.62 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.15 111.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.01 -175.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.753 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 37.6 mttt 63.15 53.97 1.8 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.73 -2.03 9.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.7 m-85 -92.3 92.72 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' ILE . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.9 121.16 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m 62.39 47.05 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.78 135.81 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.57 132.76 35.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 73' ' ' ALA . 28.8 mtm180 -137.18 129.38 16.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.55 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -76.92 88.56 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 t -167.75 132.17 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.06 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -42.52 106.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -157.53 139.83 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.98 -104.66 1.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 m -119.11 121.82 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 t -41.85 152.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.419 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -167.97 174.17 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -167.13 175.56 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.57 -169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -174.55 166.56 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.16 178.29 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.67 143.29 5.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.65 18.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' HB3' HD22 ' A' ' 24' ' ' LEU . 52.5 m-70 -124.52 123.53 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.847 HG21 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 9' ' ' HIS . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.847 ' CD2' HG21 ' A' ' 13' ' ' VAL . 26.7 m-70 -58.04 -52.41 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -54.87 162.61 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.99 76.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -110.91 44.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 59.7 mttt 70.26 54.49 0.45 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.74 0.54 5.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.672 ' HB3' HD22 ' A' ' 52' ' ' LEU . 92.0 m-85 -101.5 98.04 8.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 35' ' ' LYS . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -65.14 -57.09 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -131.21 142.42 50.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 163.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.6 163.64 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.65 145.83 99.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.0 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 3.8 t60 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' THR . 62.9 m-70 -72.73 88.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' HIS . 1.6 p -161.54 136.27 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 46.48 58.64 5.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.73 157.25 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.7 t -119.61 134.33 55.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.88 -163.99 35.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.98 34.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.9 p -84.35 122.48 28.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 t 48.62 42.09 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -173.06 134.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.8 177.84 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 119.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -158.6 130.11 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -161.09 165.55 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.68 -168.14 12.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 152.97 68.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -119.44 94.81 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 31' ' ' HIS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 13' ' ' VAL . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.703 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.615 ' CD2' HG21 ' A' ' 13' ' ' VAL . 12.7 m-70 -40.3 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -149.0 162.31 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.84 -22.87 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -38.1 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.854 ' HG2' ' HB1' ' A' ' 45' ' ' ALA . 13.6 mptt -121.6 68.61 22.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -1.84 9.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.366 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -132.79 100.7 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.478 HG23 ' SG ' ' A' ' 42' ' ' CYS . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 41' ' ' THR . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG2' ' A' ' 35' ' ' LYS . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' ILE . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' ASN . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 58' ' ' ILE . 51.4 m-70 -76.56 49.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -151.48 -176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -55.89 166.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.53 157.34 23.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' C ' ' A' ' 74' ' ' SER . 3.9 mpt_? -106.3 152.66 40.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.22 32.3 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.785 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.416 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 69' ' ' ILE . 47.5 m-70 -55.14 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -55.47 141.83 35.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.03 120.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.47 42.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.1 p -96.35 122.97 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.31 -169.7 22.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.92 51.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -92.65 143.66 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.9 t -61.92 118.83 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.462 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -162.93 149.15 12.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.3 175.22 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.17 96.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -123.1 -49.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -50.39 135.59 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.48 161.06 19.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 125.5 12.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -127.14 115.03 18.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.832 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.832 ' CD2' HG21 ' A' ' 13' ' ' VAL . 21.1 m-70 -53.32 172.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -81.72 178.3 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.05 -110.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' N ' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m -111.52 82.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -118.51 76.81 13.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -39.52 6.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' HB3' HD22 ' A' ' 52' ' ' LEU . 24.6 m-85 -64.19 97.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 53' ' ' ASN . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.8 m-70 -75.31 73.0 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.7 m -117.14 166.32 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -64.15 158.73 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.38 169.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -128.53 75.31 79.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.02 27.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -59.76 87.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.4 p -122.44 132.96 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.75 -165.81 27.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 92.11 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -144.66 123.05 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.06 148.48 17.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.58 16.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -100.3 41.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -171.41 139.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -152.49 176.08 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -153.0 174.66 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 -158.31 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -167.99 172.05 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -154.41 177.75 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 89.23 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -169.13 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 -100.5 141.45 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 20' ' ' ARG . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 -45.53 112.16 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -156.75 133.28 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.88 139.89 3.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.4 m -82.53 42.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 84.35 60.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.2 3.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -117.92 91.5 3.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.547 ' N ' HG23 ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.439 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 -69.82 173.16 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 61' ' ' ASP . 1.5 t -90.89 -46.16 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.7 p30 -33.1 115.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.3 -29.07 64.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mtp180 58.04 54.96 6.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.563 0.697 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 54.3 Cg_endo -69.77 -19.36 36.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 11.1 t-20 -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.458 ' O ' ' C ' ' A' ' 78' ' ' SER . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -65.0 85.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.7 t -145.81 135.36 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.72 92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -127.17 114.44 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 m -71.98 121.58 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.6 124.29 5.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.79 29.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.1 p -75.44 161.64 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -114.45 -44.97 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.5 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -93.91 -58.74 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 41.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 75.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -54.55 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 p -174.5 175.31 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.12 -156.62 8.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.46 57.01 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -116.4 91.01 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.873 HG21 ' CG ' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.873 ' CG ' HG21 ' A' ' 13' ' ' VAL . 35.6 m-70 -65.1 -59.15 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.8 m -33.43 141.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.61 47.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 5.4 m -59.72 -174.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 48.5 mttt -97.74 102.29 12.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 -47.58 102.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 42' ' ' CYS . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' H ' HG23 ' A' ' 41' ' ' THR . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.668 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.442 ' ND2' ' O ' ' A' ' 49' ' ' SER . 2.4 m-80 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 -79.02 -43.92 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 p -100.9 39.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -87.31 53.54 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -133.29 39.62 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.55 120.04 18.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.02 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -66.17 79.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -136.63 142.28 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.37 105.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -54.91 -46.83 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m 60.66 42.71 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.1 147.93 18.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t 63.61 41.47 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.6 p -93.36 150.68 20.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -171.46 173.57 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -161.43 178.15 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.3 166.21 25.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -169.07 171.49 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.17 152.45 51.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.9 110.08 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 -92.63 146.96 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG21 ' A' ' 13' ' ' VAL . 15.1 m-70 -116.8 86.49 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 m -164.97 126.72 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.33 143.98 3.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.1 138.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -140.18 140.32 23.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 52' ' ' LEU . 52.5 m-85 -82.46 95.42 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' ILE . 66.7 t60 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.88 82.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m -83.03 -65.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.79 164.08 31.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -84.88 156.61 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 41.7 mtt180 -123.38 109.96 30.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.75 -36.69 10.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.442 HD13 ' CB ' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.442 ' CB ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-70 -103.59 36.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -171.52 136.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 49.86 2.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.12 86.66 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.5 p -155.46 125.18 6.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.5 -97.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 146.85 61.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 m -64.43 112.99 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 m -100.14 168.16 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.524 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -40.38 -52.75 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -153.62 117.87 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 149.61 46.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -94.83 149.51 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -87.61 -54.47 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 80.98 0.95 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -177.02 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -123.71 121.76 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' VAL . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 30' ' ' CYS . 17.4 m-70 -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 m -149.93 119.22 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.69 78.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.14 -36.66 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -44.47 108.92 0.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 35' ' ' LYS . 53.8 Cg_endo -69.77 -48.63 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 52' ' ' LEU . 95.4 m-85 -56.62 91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 42' ' ' CYS . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 41' ' ' THR . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' ASN . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 26.1 m-70 -85.68 87.02 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 t -89.12 117.88 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.37 -43.39 92.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ARG . 7.7 tm-20 -48.36 122.89 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' GLU . 13.9 ptt180 -34.53 97.82 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 53.8 Cg_endo -69.8 -42.91 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 80' ' ' LEU . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 82' ' ' VAL . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 65' ' ' PHE . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 84' ' ' LEU . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 79' ' ' GLN . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 81' ' ' THR . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 88' ' ' THR . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.33 77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 86' ' ' SER . 15.3 t -160.42 152.45 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.58 -46.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -121.21 141.87 50.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -173.99 176.97 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.19 145.52 4.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 110.5 2.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.5 p -149.39 173.93 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t 67.2 43.81 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.511 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t 58.14 47.02 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -48.97 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.1 175.22 36.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -172.52 169.0 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -96.64 175.82 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.8 81.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -69.11 100.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.8 m-70 -35.43 130.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . 0.71 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 15.3 t -162.62 155.54 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . 159.92 -156.86 28.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 34' ' ' VAL . 27.3 m -65.93 72.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HD3' ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.33 119.49 45.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -14.94 36.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.819 ' HB3' HD22 ' A' ' 52' ' ' LEU . 26.1 m-85 -104.99 86.41 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 32' ' ' THR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' ILE . 81.5 t60 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.26 -178.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t 56.93 39.66 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.2 p-10 -123.02 -53.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 61' ' ' ASP . 8.0 tm-20 -36.73 154.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.37 137.84 85.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.55 14.39 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.222 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.548 ' HB3' HD22 ' A' ' 80' ' ' LEU . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 65' ' ' PHE . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -69.16 85.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 p -90.68 -43.6 10.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.57 136.21 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -40.73 135.85 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 t -78.11 102.89 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.77 150.76 22.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.01 15.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -94.23 99.63 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 m -101.07 132.55 46.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -160.5 174.64 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -171.32 166.43 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.21 174.1 23.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -161.87 161.51 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -121.65 162.6 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.77 83.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.64 20.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -125.47 120.86 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.708 HG21 ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.6 m-70 -34.86 119.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -173.69 139.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.57 -167.61 30.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' LYS . 34.2 m -68.41 177.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . 0.794 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER 34.97 54.19 1.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 -110.47 106.47 15.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.575 ' N ' HG23 ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 96.2 m-70 -70.3 98.34 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASP . 47.5 t -102.21 78.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' SER . 31.7 m-20 35.28 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 119.55 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.552 ' HG2' ' HB1' ' A' ' 73' ' ' ALA . 9.2 ttp-105 52.43 52.66 11.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.75 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 80' ' ' LEU . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 63' ' ' ARG . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.443 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 65' ' ' PHE . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 -37.07 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 t -39.25 140.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 92.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.25 91.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.1 m -125.59 86.44 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.51 -174.31 46.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 0.74 5.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -139.18 130.67 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.2 m -58.56 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -136.57 146.58 46.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.92 -42.98 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.4 168.81 21.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -158.67 166.04 32.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -152.58 163.62 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 106.5 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.2 63.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.631 2.221 . . . . 0.0 112.299 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 -94.57 115.47 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 29' ' ' ARG . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.534 ' HD2' HG23 ' A' ' 26' ' ' THR . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -50.42 150.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -128.09 151.94 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -158.63 -105.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 33' ' ' GLY . 16.6 m 41.81 32.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.47 113.9 12.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -37.55 8.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 -78.0 87.67 4.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' SER . . . . . 0.633 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 59' ' ' HIS . . . . . 0.427 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 -60.67 -30.09 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m -88.13 46.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -173.09 110.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -108.11 172.11 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 73' ' ' ALA . 42.3 mtm180 -130.32 129.4 22.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -40.91 4.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' PHE . . . . . 0.969 ' HB3' HD22 ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 4.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.969 HD22 ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 86' ' ' SER . . . . . 0.433 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' GLY . 36.4 m-70 -57.17 -59.0 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.4 p -40.17 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 87' ' ' HIS . . . -114.56 118.68 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -117.4 94.52 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -110.57 -50.85 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.97 77.6 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.18 36.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.6 m -46.64 118.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -70.95 -49.75 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.53 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.897 0.379 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 13' ' ' VAL . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.423 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.676 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.442 ' CD2' ' SG ' ' A' ' 11' ' ' CYS . 32.9 t60 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.892 0.377 . . . . 0.0 110.918 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.605 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.541 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.446 ' CD2' HG12 ' A' ' 58' ' ' ILE . 75.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.169 0 CA-C-O 120.797 0.249 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.513 ' CD2' HD13 ' A' ' 69' ' ' ILE . 62.9 m-70 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.84 0.352 . . . . 0.0 110.879 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.615 ' CE2' HD13 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 24.6 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.952 0.406 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.567 ' N ' HG23 ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.153 0 CA-C-O 120.848 0.27 . . . . 0.0 112.367 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.418 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.56 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.848 0.356 . . . . 0.0 110.849 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 13' ' ' VAL . 11.9 m-70 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.928 0.394 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.469 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.404 ' H ' HG23 ' A' ' 58' ' ' ILE . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.173 0 CA-C-O 120.8 0.25 . . . . 0.0 112.326 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.648 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.855 0.36 . . . . 0.0 110.843 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 13' ' ' VAL . 16.5 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 . . . . . 0 C--O 1.232 0.143 0 CA-C-O 120.962 0.411 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 N--CA 1.466 -0.145 0 CA-C-O 120.86 0.275 . . . . 0.0 112.355 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.521 ' SG ' ' CE1' ' A' ' 87' ' ' HIS . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.521 ' CE1' ' SG ' ' A' ' 70' ' ' CYS . 5.8 m-70 . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 24' ' ' LEU . 16.7 m-70 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.548 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 9' ' ' HIS . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 13' ' ' VAL . 34.7 m-70 . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.951 0.405 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.645 ' CE1' HD13 ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.5 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.851 0.271 . . . . 0.0 112.344 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.474 ' HB2' ' CZ ' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.411 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.809 0.338 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HD22 ' A' ' 52' ' ' LEU . 29.1 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.962 0.41 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.537 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 37' ' ' TYR . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 74.2 m-70 . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo . . . . . 0 C--O 1.231 0.139 0 CA-C-O 120.865 0.277 . . . . 0.0 112.385 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 80' ' ' LEU . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 65' ' ' PHE . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 65' ' ' PHE . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 . . . . . 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m170 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.847 0.356 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 57.8 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.945 0.403 . . . . 0.0 110.875 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 53' ' ' ASN . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 58' ' ' ILE . 18.6 m-70 . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 N--CA 1.465 -0.163 0 CA-C-O 120.807 0.253 . . . . 0.0 112.34 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.902 0.382 . . . . 0.0 110.851 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 24' ' ' LEU . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 52' ' ' LEU . 21.0 m-85 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.94 0.4 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo . . . . . 0 C--O 1.232 0.199 0 CA-C-O 120.802 0.251 . . . . 0.0 112.325 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.765 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 69' ' ' ILE . 50.5 m-70 . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.865 0.364 . . . . 0.0 110.85 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 11' ' ' CYS . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 ' HD3' ' A' ' 29' ' ' ARG . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.767 ' HD3' HG22 ' A' ' 26' ' ' THR . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 13' ' ' VAL . 10.9 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.584 ' HB3' HD22 ' A' ' 52' ' ' LEU . 55.7 m-85 . . . . . 0 C--O 1.232 0.141 0 CA-C-O 120.91 0.386 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.766 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' TYR . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo . . . . . 0 N--CA 1.465 -0.171 0 CA-C-O 120.825 0.26 . . . . 0.0 112.339 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.461 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 . . . . . 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.886 0.374 . . . . 0.0 110.838 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.633 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.604 ' CD2' HG21 ' A' ' 13' ' ' VAL . 22.8 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.943 0.401 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' ILE . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--O 1.231 0.15 0 CA-C-O 120.854 0.272 . . . . 0.0 112.287 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.556 ' HB3' HD22 ' A' ' 24' ' ' LEU . 52.5 m-70 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.883 0.373 . . . . 0.0 110.856 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.847 HG21 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 9' ' ' HIS . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.847 ' CD2' HG21 ' A' ' 13' ' ' VAL . 26.7 m-70 . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.672 ' HB3' HD22 ' A' ' 52' ' ' LEU . 92.0 m-85 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.951 0.405 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo . . . . . 0 C--O 1.231 0.145 0 CA-C-O 120.846 0.269 . . . . 0.0 112.306 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 3.8 t60 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 62.9 m-70 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.913 0.387 . . . . 0.0 110.877 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 31' ' ' HIS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 13' ' ' VAL . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.703 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.615 ' CD2' HG21 ' A' ' 13' ' ' VAL . 12.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.97 0.414 . . . . 0.0 110.92 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.478 HG23 ' SG ' ' A' ' 42' ' ' CYS . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 41' ' ' THR . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' ILE . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' ASN . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 58' ' ' ILE . 51.4 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.156 0 CA-C-O 120.799 0.249 . . . . 0.0 112.33 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.785 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 69' ' ' ILE . 47.5 m-70 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.879 0.371 . . . . 0.0 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.832 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.832 ' CD2' HG21 ' A' ' 13' ' ' VAL . 21.1 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.725 ' HB3' HD22 ' A' ' 52' ' ' LEU . 24.6 m-85 . . . . . 0 C--O 1.232 0.147 0 CA-C-O 120.959 0.409 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 53' ' ' ASN . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.8 m-70 . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--O 1.231 0.168 0 CA-C-O 120.837 0.265 . . . . 0.0 112.369 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.416 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.886 0.374 . . . . 0.0 110.886 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 20' ' ' ARG . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 . . . . . 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.976 0.417 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.547 ' N ' HG23 ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.439 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.461 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--O 1.232 0.197 0 CA-C-O 120.819 0.258 . . . . 0.0 112.378 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.614 ' N ' HD22 ' A' ' 76' ' ' ASN . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.911 0.386 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.873 HG21 ' CG ' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.581 ' O ' HD13 ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.873 ' CG ' HG21 ' A' ' 13' ' ' VAL . 35.6 m-70 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.932 0.396 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 42' ' ' CYS . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.552 ' H ' HG23 ' A' ' 41' ' ' THR . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.668 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.143 0 CA-C-O 120.831 0.263 . . . . 0.0 112.343 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.844 0.354 . . . . 0.0 110.846 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG21 ' A' ' 13' ' ' VAL . 15.1 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 52' ' ' LEU . 52.5 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.907 0.384 . . . . 0.0 110.94 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' ILE . 66.7 t60 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.16 0 CA-C-O 120.862 0.276 . . . . 0.0 112.345 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.442 HD13 ' CB ' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.442 ' CB ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.839 0.352 . . . . 0.0 110.898 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' VAL . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 30' ' ' CYS . 17.4 m-70 . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 52' ' ' LEU . 95.4 m-85 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.981 0.419 . . . . 0.0 110.986 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 42' ' ' CYS . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 41' ' ' THR . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' ASN . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 26.1 m-70 . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.163 0 CA-C-O 120.805 0.252 . . . . 0.0 112.356 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 80' ' ' LEU . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 82' ' ' VAL . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 65' ' ' PHE . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 84' ' ' LEU . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 79' ' ' GLN . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 81' ' ' THR . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.818 0.342 . . . . 0.0 110.882 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.8 m-70 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.819 ' HB3' HD22 ' A' ' 52' ' ' LEU . 26.1 m-85 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.961 0.41 . . . . 0.0 110.921 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.446 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' ILE . 81.5 t60 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.232 0.185 0 CA-C-O 120.804 0.252 . . . . 0.0 112.361 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.548 ' HB3' HD22 ' A' ' 80' ' ' LEU . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.527 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 65' ' ' PHE . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.848 0.356 . . . . 0.0 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.708 HG21 ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.6 m-70 . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 . . . . . 0 N--CA 1.457 -0.082 0 CA-C-O 120.948 0.404 . . . . 0.0 110.929 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.575 ' N ' HG23 ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 96.2 m-70 . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--O 1.231 0.142 0 CA-C-O 120.811 0.255 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 80' ' ' LEU . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.42 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 65' ' ' PHE . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.883 0.373 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 29' ' ' ARG . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.534 ' HD2' HG23 ' A' ' 26' ' ' THR . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 . . . . . 0 C--O 1.231 0.125 0 CA-C-O 121.002 0.43 . . . . 0.0 110.926 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' SER . . . . . 0.633 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' HIS . . . . . 0.427 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--O 1.231 0.155 0 CA-C-O 120.824 0.26 . . . . 0.0 112.372 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' PHE . . . . . 0.969 ' HB3' HD22 ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.407 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.969 HD22 ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' SER . . . . . 0.433 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 36.4 m-70 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.26 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.9 m -134.07 134.46 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.853 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 69.7 m -89.83 -45.49 9.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.855 -179.796 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 106.14 155.71 21.42 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.527 -179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 67.2 m -137.85 146.95 44.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.898 0.38 . . . . 0.0 110.854 -179.749 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 54.4 p -156.11 171.2 20.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.84 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 161.68 178.76 35.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.538 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 142.55 48.31 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.684 2.256 . . . . 0.0 112.329 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 4.7 m170 -127.08 95.98 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.4 pttm -89.37 144.1 26.32 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.875 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.521 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.7 t -75.89 53.42 0.75 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.435 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 5.8 pt-20 -36.21 -40.58 0.23 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.521 ' CG2' ' SG ' ' A' ' 11' ' ' CYS . 14.5 m -38.57 -46.65 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.127 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.452 ' N ' HG23 ' A' ' 13' ' ' VAL . 26.7 p -114.49 -39.99 3.7 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.875 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 117.44 34.01 1.25 Allowed Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.489 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.8 tptm -107.96 114.5 28.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.795 0.331 . . . . 0.0 110.854 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 27.0 p -74.86 125.62 29.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.907 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' CE2' ' ND1' ' A' ' 27' ' ' HIS . 31.7 m-85 -134.74 118.18 16.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.859 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.1 m -87.22 -42.64 12.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.9 mmt-85 -73.94 108.15 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.896 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 26.3 ttpp -50.3 -36.79 33.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.952 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -40.94 84.36 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.83 179.866 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 4.0 mmpt? -63.44 -60.49 3.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.676 ' C ' HD13 ' A' ' 24' ' ' LEU . 1.3 tm? -52.34 -56.01 17.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.926 179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.431 ' C ' ' O ' ' A' ' 24' ' ' LEU . 33.1 ttpt -35.19 -37.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.876 179.826 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 13.5 m -92.81 -35.56 13.34 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.117 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.434 ' N ' ' O ' ' A' ' 24' ' ' LEU . 32.9 t60 -47.12 -39.14 12.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.857 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.424 ' O ' ' N ' ' A' ' 31' ' ' HIS . 10.5 mmt -55.67 -33.14 63.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.863 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 28' ' ' MET . 9.7 ptm180 -35.76 -36.02 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.813 -179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.4 ' N ' ' O ' ' A' ' 28' ' ' MET . 69.6 m -72.25 -49.92 31.28 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m-70 -84.05 73.79 10.34 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.853 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.3 p -119.89 79.59 1.47 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 -179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -149.64 90.38 0.14 Allowed Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.498 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.605 ' O ' HG23 ' A' ' 34' ' ' VAL . 29.4 m -96.28 57.72 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.92 0.39 . . . . 0.0 111.096 -179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -104.86 119.16 54.32 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.579 0.705 . . . . 0.0 110.899 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -0.83 7.49 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.687 2.258 . . . . 0.0 112.34 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.481 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 55.0 m-85 -106.3 91.69 3.82 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.918 -179.889 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.6 mtpm? -128.27 145.46 51.04 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.877 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.3 t -58.03 163.97 2.53 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -75.18 -39.2 60.46 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.908 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.605 HG23 ' N ' ' A' ' 42' ' ' CYS . 9.0 t -111.38 -51.34 2.87 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.137 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.605 ' N ' HG23 ' A' ' 41' ' ' THR . 12.8 m -63.11 163.96 9.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.932 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -105.96 37.53 2.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.905 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.403 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 7.2 t80 -92.3 136.97 32.76 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.947 -179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -120.48 127.2 52.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.076 -0.511 . . . . 0.0 111.084 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.541 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.0 151.62 32.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.07 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -81.63 -47.74 12.62 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -95.33 128.05 41.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.898 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.481 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 67.4 p -39.91 -63.13 0.63 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.877 -179.754 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.42 ' C ' ' O ' ' A' ' 49' ' ' SER . 77.8 p -35.75 -50.81 0.65 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.844 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.541 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 19.2 t -43.65 -50.82 7.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.858 -179.823 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.8 tp -68.09 -38.81 82.76 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.7 m-20 -57.22 -44.07 83.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 5.3 tppt? -67.66 -40.96 84.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.893 179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 78.0 t60 -54.46 -36.01 63.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.848 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 43.6 mt -66.07 -23.05 66.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.933 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -55.06 -55.71 27.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.818 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.446 HG12 ' CD2' ' A' ' 59' ' ' HIS . 0.6 OUTLIER -46.81 -35.93 3.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.152 179.952 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.446 ' CD2' HG12 ' A' ' 58' ' ' ILE . 75.6 m-70 -74.13 115.33 13.49 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 33.0 t -73.09 101.81 3.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 -179.765 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -140.87 122.47 15.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.896 179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -96.49 96.56 8.77 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.857 -179.869 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -127.46 74.94 77.7 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.598 0.713 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -30.45 22.28 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.68 2.254 . . . . 0.0 112.339 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -78.81 144.5 35.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.882 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 8.3 mtmp? -149.06 127.06 11.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.896 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -69.21 159.65 32.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.848 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.2 mt-30 -89.41 -59.09 2.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.926 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.724 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -52.34 -50.18 39.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.127 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -118.21 152.98 51.32 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.651 0.738 . . . . 0.0 110.861 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 4.19 2.36 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.637 2.225 . . . . 0.0 112.33 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.444 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 83.0 t80 -51.13 163.64 0.21 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.904 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.444 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -151.41 157.08 41.93 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.109 179.864 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 90.4 p -142.3 148.97 38.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.776 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.42 ' HD3' ' C ' ' A' ' 75' ' ' ARG . 0.8 OUTLIER -74.44 -24.04 59.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.884 -179.933 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -129.85 151.59 50.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 87.9 p -65.3 -45.4 84.54 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.873 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 3.3 m -44.4 -57.24 3.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.861 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.2 mm-40 -48.75 -46.64 41.39 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.865 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.7 tp -57.33 -41.25 79.63 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.9 m -51.98 -50.53 61.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.128 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 84.1 t -68.39 -36.93 76.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.098 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -57.73 -54.77 43.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.852 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.431 ' O ' ' C ' ' A' ' 85' ' ' ARG . 37.6 mt -39.82 -47.16 2.07 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.902 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.2 mtp180 -35.26 -42.46 0.19 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.847 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 74.0 m -44.59 -51.85 8.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.513 ' CD2' HD13 ' A' ' 69' ' ' ILE . 62.9 m-70 -64.0 86.04 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.87 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 27.0 p -83.51 -48.98 9.71 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.142 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -96.61 55.76 1.41 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.472 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . 0.422 ' O ' ' CG ' ' A' ' 90' ' ' ASP . 18.1 p-10 -74.6 86.41 2.11 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.765 0.317 . . . . 0.0 110.885 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 49.4 m -69.59 113.24 6.69 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.825 -179.745 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -156.56 -158.14 8.71 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.471 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 150.67 68.72 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 1.5 t -170.82 115.03 0.44 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.879 -179.821 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 57.7 m -100.43 166.2 11.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.88 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 CA-C-O 119.095 -0.836 . . . . 0.0 112.478 179.974 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 N-CA-C 112.492 -0.243 . . . . 0.0 112.492 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -168.39 140.7 2.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.851 0.358 . . . . 0.0 110.817 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.0 m -161.25 170.01 21.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.855 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -168.7 146.06 10.04 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.513 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -155.35 145.18 21.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.883 0.373 . . . . 0.0 110.874 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.1 t -87.34 120.34 28.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.878 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -128.05 70.44 0.51 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -164.33 0.13 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.66 2.24 . . . . 0.0 112.339 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.2 m170 -95.68 145.25 25.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 9.2 ptmt -131.28 140.98 49.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.906 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.447 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -56.14 163.61 1.53 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.864 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.441 ' N ' ' CD ' ' A' ' 12' ' ' GLU . 1.2 pm0 -124.14 -9.48 7.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.848 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.2 m -95.88 -39.68 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.087 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 20.3 p -112.11 -30.82 7.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.853 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.88 31.63 12.13 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.529 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 58.5 tttt -88.59 165.12 15.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.747 0.308 . . . . 0.0 110.902 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 49.7 t -109.04 155.31 21.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.92 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.615 ' CE2' HD13 ' A' ' 24' ' ' LEU . 14.3 m-85 -139.08 174.34 10.62 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.916 -179.867 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.5 m -103.71 -37.25 7.57 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.842 -179.78 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.2 mtp180 -129.44 175.87 8.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.86 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -78.02 -26.29 48.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.92 179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 20.7 m-20 -74.26 -34.73 63.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -57.82 -18.7 23.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.856 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.615 HD13 ' CE2' ' A' ' 18' ' ' PHE . 10.0 tp -91.85 -48.48 6.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.916 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.0 mtmt -39.53 -41.42 1.0 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 82.1 m -90.12 -25.1 20.89 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.14 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.413 ' N ' ' O ' ' A' ' 24' ' ' LEU . 83.1 t60 -52.39 -38.51 59.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.825 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 9.9 mmt -53.38 -16.63 1.45 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.931 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 32' ' ' THR . 55.7 mtt180 -61.16 -39.77 91.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.884 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.46 ' SG ' ' CE1' ' A' ' 31' ' ' HIS . 24.1 p -65.01 -20.4 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.902 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 24.6 m-70 -98.71 84.99 3.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 29' ' ' ARG . 36.1 p -126.83 159.72 33.05 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.169 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.43 -137.77 5.44 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.46 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 16.0 m -117.43 -16.03 8.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.87 0.367 . . . . 0.0 111.118 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.419 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -67.29 122.44 82.95 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.528 0.68 . . . . 0.0 110.907 179.902 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 -6.73 19.29 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.725 2.283 . . . . 0.0 112.335 179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 61.9 m-85 -107.6 95.09 5.45 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.932 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 20.2 mtmt -126.83 141.74 51.74 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.94 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.8 t -55.56 163.97 1.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.956 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 4.9 ttpm? -77.71 -45.78 23.8 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.919 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.567 HG23 ' N ' ' A' ' 42' ' ' CYS . 6.6 t -104.14 -48.14 3.96 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.126 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.567 ' N ' HG23 ' A' ' 41' ' ' THR . 12.3 m -66.27 174.79 2.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.939 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -115.39 27.21 9.5 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 4.0 t80 -81.17 142.39 33.28 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 -179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.478 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -121.31 130.33 53.58 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.126 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -118.64 148.78 42.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.122 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -77.56 -57.67 3.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.126 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 14.9 t70 -91.93 168.64 11.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.871 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 68.0 m -74.28 -45.74 45.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.92 -179.809 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 24.2 p -63.25 -14.49 49.96 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.868 -179.808 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 20.8 m -78.14 -36.18 48.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.832 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.2 tp -81.34 -24.96 36.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.943 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -65.06 -35.96 82.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.886 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 13.7 mmmt -69.5 -36.77 76.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.917 179.888 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 53.0 t60 -61.34 -30.9 70.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.865 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 93.7 mt -65.18 -28.34 69.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.925 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.408 ' O ' ' N ' ' A' ' 59' ' ' HIS . 35.6 mtp85 -66.56 -53.06 38.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.867 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.482 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -40.63 -27.55 0.1 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.14 179.968 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.43 ' N ' HG13 ' A' ' 58' ' ' ILE . 10.6 m-70 -72.55 71.12 0.95 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.898 179.89 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 61' ' ' ASP . 3.4 m -66.64 -45.55 78.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.815 -179.734 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.43 ' C ' ' O ' ' A' ' 60' ' ' SER . 32.2 m-20 -35.88 -37.06 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -40.23 -74.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.86 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.689 ' CB ' ' HB1' ' A' ' 73' ' ' ALA . 9.5 mpt_? -140.26 131.72 14.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.579 0.704 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -24.55 29.75 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.701 2.267 . . . . 0.0 112.367 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.418 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 17.9 m-85 -107.69 151.99 24.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.892 -179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.418 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -144.85 156.13 43.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.943 179.962 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 11.8 t -98.11 153.82 18.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.905 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.2 mt-30 -78.17 -60.88 2.19 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.988 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.757 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.52 -59.63 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.117 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.0 p -111.92 152.66 44.41 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.652 0.739 . . . . 0.0 110.863 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 3.25 2.86 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.691 2.261 . . . . 0.0 112.358 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.56 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 64.7 t80 -43.68 167.9 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.934 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.689 ' HB1' ' CB ' ' A' ' 63' ' ' ARG . . . -158.57 144.81 17.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.071 179.885 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 46.7 p -140.14 145.07 37.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.83 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.423 ' O ' ' CG ' ' A' ' 76' ' ' ASN . 60.1 mtp180 -85.44 41.22 0.88 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.423 ' CG ' ' O ' ' A' ' 75' ' ' ARG . 9.8 m-80 -161.5 178.74 8.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.861 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 92.4 p -104.09 -44.9 4.87 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.841 -179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 63.2 m -63.13 -54.91 30.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.819 -179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -40.91 -42.32 1.82 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.952 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 34.9 tp -65.12 -44.31 89.13 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.889 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.0 m -53.7 -53.68 48.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.123 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.9 t -64.17 -41.37 92.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.115 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 3.0 t60 -52.63 -49.98 64.07 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.844 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.425 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.1 mt -43.9 -56.84 3.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.908 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.425 ' C ' ' O ' ' A' ' 84' ' ' LEU . 1.3 mpt_? -36.21 -45.97 0.49 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.857 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 23.2 t -40.98 -50.82 3.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.781 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 53.0 m-70 -55.94 -53.86 51.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.885 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.0 p -102.69 106.56 17.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.129 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 144.23 -82.54 0.21 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.479 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -56.61 126.31 26.1 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.806 0.336 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 40.8 t -78.15 -56.64 4.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.842 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 146.8 148.85 4.84 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 140.64 43.26 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.646 2.231 . . . . 0.0 112.365 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 6.2 t -39.14 128.01 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.882 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 16.1 t -116.55 118.64 33.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.857 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.502 179.965 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -134.28 165.76 24.38 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.844 0.354 . . . . 0.0 110.832 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 49.0 p -124.39 169.48 11.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.853 -179.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.72 173.25 14.69 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.484 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 50.7 m -118.16 147.85 42.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.893 0.378 . . . . 0.0 110.866 -179.77 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.1 t -152.34 130.48 11.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.889 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -101.35 163.94 17.95 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.484 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 124.48 11.11 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.693 2.262 . . . . 0.0 112.338 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 43.9 m-70 -88.69 106.03 18.07 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.849 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -110.32 137.97 47.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 2.0 t -52.79 178.82 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.411 ' HG3' ' N ' ' A' ' 13' ' ' VAL . 10.8 pt-20 -131.49 -41.59 1.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.872 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.513 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -61.31 -39.83 84.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.116 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 27.1 p -113.53 -39.93 3.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.848 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.25 45.06 3.37 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.481 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.561 ' HE3' ' CZ ' ' A' ' 18' ' ' PHE . 12.1 ttpp -96.8 169.59 9.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.779 0.323 . . . . 0.0 110.923 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -113.75 155.86 24.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.901 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.561 ' CZ ' ' HE3' ' A' ' 16' ' ' LYS . 76.0 m-85 -146.4 174.81 11.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 30.4 m -107.72 -52.19 2.8 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.806 -179.73 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 38.6 mtp180 -106.09 152.67 23.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 25.2 mtmt -62.4 -38.1 88.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 61.1 m-20 -55.52 -49.22 73.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.827 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.9 mmmm -41.63 -44.43 3.1 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 12.3 tp -67.86 -43.01 80.43 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.89 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 16.9 ttpt -39.1 -56.38 1.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.902 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.446 ' O ' ' N ' ' A' ' 29' ' ' ARG . 24.9 m -73.46 -36.84 65.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.173 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -38.66 -48.89 1.52 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.844 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 13.6 mmt -53.74 -39.59 65.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.856 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.446 ' N ' ' O ' ' A' ' 26' ' ' THR . 51.1 mmt-85 -51.38 -38.91 55.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.9 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.5 m -74.86 -15.55 60.71 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.895 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.513 ' CD2' HG21 ' A' ' 13' ' ' VAL . 11.9 m-70 -89.36 118.56 29.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -136.52 141.98 43.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.164 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.75 76.81 0.14 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.468 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 18.4 m -93.21 -30.74 4.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.871 0.367 . . . . 0.0 111.136 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.483 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 11.1 mptt -126.66 70.83 72.74 Favored Pre-proline 0 C--N 1.328 -0.349 0 CA-C-O 121.608 0.718 . . . . 0.0 110.886 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -29.55 23.96 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.702 2.268 . . . . 0.0 112.338 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 48.2 m-85 -77.28 96.62 4.62 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.919 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 71.2 mttt -125.42 125.82 43.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.899 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 15.1 t -51.45 144.16 10.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.855 179.951 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 66.1 tttt -59.32 -57.74 11.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.918 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 91.3 m -75.03 -62.51 1.52 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.132 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.3 m -65.57 162.14 18.81 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.857 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -111.69 36.38 3.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.889 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.469 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 2.2 t80 -82.64 135.19 35.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.894 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.483 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -100.1 114.99 28.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.142 179.836 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.442 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -104.71 146.59 28.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.095 179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -85.43 -53.26 5.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.108 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 23.5 t70 -98.81 163.4 12.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.872 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 15.8 t -62.04 -60.23 3.93 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 13.1 t -45.46 -42.06 10.1 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.905 -179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.442 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 22.7 t -44.68 -40.87 6.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.855 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 12.1 tp -83.33 -45.34 13.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.91 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 25.3 m-20 -53.28 -30.68 39.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.895 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 22.9 ttmt -84.87 -36.17 21.72 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.912 179.888 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 17.7 t60 -53.96 -34.15 58.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.856 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.6 mt -69.16 -17.85 63.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 14.0 mmt180 -62.3 -30.57 71.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.883 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 ' O ' ' NH1' ' A' ' 63' ' ' ARG . 0.8 OUTLIER -71.05 -32.83 49.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.145 179.957 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 27.1 m-70 -58.49 -36.99 74.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 29.4 m -51.36 -41.4 60.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.84 -179.755 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -107.12 -178.53 3.67 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 48.4 mm-40 -113.79 153.95 28.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.872 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' NH1' ' O ' ' A' ' 58' ' ' ILE . 13.3 mtm-85 -135.04 105.92 10.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.638 0.732 . . . . 0.0 110.892 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.82 -31.72 19.71 Favored 'Trans proline' 0 C--N 1.342 0.225 0 C-N-CA 122.657 2.238 . . . . 0.0 112.326 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 50.5 m-85 -87.76 123.42 32.54 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.859 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -139.36 133.93 31.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.901 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 48.6 t -67.59 161.58 25.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.86 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.9 mm-40 -93.44 -55.37 3.31 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.897 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.648 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.1 mp -57.5 -56.67 13.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.145 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.1 p -104.73 152.61 39.51 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.575 0.702 . . . . 0.0 110.882 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 3.1 2.95 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.658 2.239 . . . . 0.0 112.346 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 82.1 t80 -44.71 168.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.914 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -159.25 150.15 19.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.088 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.3 p -146.08 152.95 40.14 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.866 -179.804 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 46.0 mtp180 -77.29 -46.38 23.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.907 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.7 m-20 -100.44 171.82 7.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.93 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 5.1 t -80.65 -49.88 10.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 58.7 m -38.36 -56.49 1.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.869 -179.802 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 25.3 mt-30 -46.25 -46.98 18.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.943 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 21.4 tp -67.45 -44.47 78.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.906 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 28.7 m -52.94 -38.15 61.66 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.176 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.4 t -79.53 -46.14 23.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.119 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -55.93 -49.16 74.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.819 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.419 ' O ' ' C ' ' A' ' 85' ' ' ARG . 18.3 mt -43.43 -53.59 5.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.929 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.419 ' C ' ' O ' ' A' ' 84' ' ' LEU . 51.0 mtp180 -35.6 -42.87 0.25 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 64.8 m -47.93 -51.02 25.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 82.7 m-70 -65.58 80.84 0.06 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.863 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.431 ' O ' ' C ' ' A' ' 89' ' ' GLY . 9.2 t -150.37 139.82 21.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.179 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 88' ' ' THR . . . 35.0 71.08 0.16 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -77.17 127.1 32.04 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.342 . . . . 0.0 110.894 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.3 t -46.66 -62.54 1.33 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.862 -179.749 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 162.71 146.14 4.59 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.489 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 133.67 26.14 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 112.324 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 78.5 p -144.62 152.25 40.21 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.902 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.5 p -174.28 171.69 3.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.845 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 CA-C-O 119.083 -0.843 . . . . 0.0 112.49 179.966 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.311 0 N-CA-C 112.446 -0.262 . . . . 0.0 112.446 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 25.0 m -161.93 150.46 15.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.869 0.366 . . . . 0.0 110.88 -179.729 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 t -155.94 137.95 14.53 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.816 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -152.27 99.51 0.19 Allowed Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.473 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 69.1 m -116.02 132.82 56.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.914 0.388 . . . . 0.0 110.85 -179.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.9 t -130.21 122.06 27.38 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.869 -179.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.408 ' HA2' ' HD2' ' A' ' 8' ' ' PRO . . . -54.48 113.73 3.7 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.488 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . 0.408 ' HD2' ' HA2' ' A' ' 7' ' ' GLY . 53.9 Cg_endo -69.75 162.19 43.01 Favored 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.649 2.233 . . . . 0.0 112.394 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 30.0 m-70 -113.44 100.63 8.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.843 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -121.71 128.68 52.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -49.82 171.71 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.886 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 42.4 tt0 -128.01 -6.36 5.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.529 HG21 ' CD2' ' A' ' 31' ' ' HIS . 3.3 m -103.11 -39.99 6.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.135 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 19.5 p -120.23 1.78 10.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.894 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 51.46 31.28 28.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.56 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 15.1 tptm -74.39 140.98 45.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.758 0.313 . . . . 0.0 110.88 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.3 p -83.3 142.16 31.29 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CZ ' ' HG2' ' A' ' 16' ' ' LYS . 49.4 m-85 -146.27 175.41 10.54 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.861 -179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.4 t -118.82 -60.4 1.76 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.896 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 47.5 mtt180 -87.25 148.11 25.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.866 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.455 ' HG3' ' N ' ' A' ' 22' ' ' ASP . 19.4 ptpt -70.53 -40.62 73.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.944 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 21' ' ' LYS . 68.2 m-20 -45.03 -51.65 9.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.854 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.2 mttm -49.57 -42.92 45.57 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.928 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 19.7 tp -58.2 -51.67 68.77 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.948 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 33.5 mttm -39.97 -64.86 0.45 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.896 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.401 ' O ' ' N ' ' A' ' 29' ' ' ARG . 17.0 m -67.95 -34.44 76.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.167 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -48.16 -22.3 0.62 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.853 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 5.3 mmm -87.3 -29.24 21.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.84 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.401 ' N ' ' O ' ' A' ' 26' ' ' THR . 47.4 mtt180 -61.84 -8.7 5.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.864 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.2 t -114.25 12.36 17.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.529 ' CD2' HG21 ' A' ' 13' ' ' VAL . 16.5 m-70 -107.71 64.79 0.63 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.867 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.7 p -109.24 61.29 0.6 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.146 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 61.42 -131.53 47.39 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.516 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.6 m -126.86 35.26 1.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.889 0.376 . . . . 0.0 111.133 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.481 ' HG3' ' HB2' ' A' ' 47' ' ' ALA . 8.9 mptt -113.09 73.46 1.68 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.575 0.703 . . . . 0.0 110.892 179.871 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.84 -22.34 31.86 Favored 'Trans proline' 0 C--O 1.232 0.186 0 C-N-CA 122.665 2.243 . . . . 0.0 112.31 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 89.4 m-85 -65.58 91.12 0.12 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.949 -179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.4 mtmt -126.74 125.41 41.73 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.922 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 11.1 t -53.09 135.59 37.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.882 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -57.25 -39.75 76.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.917 179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 33.1 m -91.03 -61.95 1.56 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.104 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.8 m -69.82 167.68 16.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.844 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -111.17 38.77 2.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 0.0 110.832 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.478 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -91.08 135.43 33.77 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.95 -179.858 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -113.49 123.91 51.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.074 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.478 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -119.18 138.38 52.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.118 179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.481 ' HB2' ' HG3' ' A' ' 35' ' ' LYS . . . -92.27 32.2 1.21 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.086 179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.2 t0 -160.23 146.35 15.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.881 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 45.9 t -65.53 -38.33 89.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.834 -179.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 11.5 m -68.06 -49.5 60.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.847 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 45.6 m -47.05 -40.34 14.75 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 15.4 tp -74.44 -33.98 63.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.958 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -66.4 -45.73 78.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.861 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.26 -26.92 68.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.879 179.94 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 72.2 t60 -75.66 -39.89 56.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 54.3 mt -58.11 -21.09 44.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.412 ' O ' ' C ' ' A' ' 58' ' ' ILE . 21.4 mtp180 -60.03 -60.12 4.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.888 179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.48 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.9 OUTLIER -36.18 -41.36 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.099 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.48 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 79.7 m-70 -66.77 111.38 3.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.852 179.859 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 20.1 p -89.68 169.72 11.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.823 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -116.01 149.69 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.852 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.9 mp0 -114.24 89.32 3.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.864 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.401 ' HG2' ' C ' ' A' ' 74' ' ' SER . 75.7 mtm180 -126.18 87.56 55.94 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.644 0.735 . . . . 0.0 110.856 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 -34.44 14.75 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.691 2.261 . . . . 0.0 112.355 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 91.7 m-85 -80.2 128.88 34.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.846 -179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 19.1 mttm -144.23 135.12 25.17 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.946 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 37.3 t -66.33 135.76 54.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.915 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 65.8 mt-30 -72.64 -44.97 61.19 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.91 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 58.5 mt -67.97 -51.32 50.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.144 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 1.8 m -105.55 149.48 37.9 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.624 0.726 . . . . 0.0 110.887 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 2.22 3.74 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.712 2.274 . . . . 0.0 112.35 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.546 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 58.6 t80 -54.56 166.76 0.41 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.904 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.546 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -160.46 144.19 13.8 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.085 179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.401 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 54.1 p -137.55 177.46 7.85 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.841 -179.739 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -100.7 -41.9 6.72 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.927 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 88.3 m-20 -99.2 137.37 37.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.899 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 2.0 p -59.05 -14.88 11.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.843 -179.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 74.3 m -76.89 -42.16 40.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.891 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 53.9 mt-30 -57.15 -41.99 80.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.907 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.2 tp -65.82 -46.76 77.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.892 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 22.5 m -50.48 -49.85 54.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.142 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 66.9 t -64.21 -36.35 76.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.171 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -63.01 -51.14 67.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.832 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.41 ' O ' ' C ' ' A' ' 85' ' ' ARG . 27.1 mt -47.69 -52.35 18.61 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.928 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.41 ' C ' ' O ' ' A' ' 84' ' ' LEU . 86.5 mtt180 -37.21 -44.38 0.57 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 8.6 t -43.3 -50.05 6.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -58.1 -36.7 73.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.827 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 9.7 t -163.51 142.68 8.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.181 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -153.17 -172.27 21.28 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.469 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -64.19 117.12 6.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 3.3 m -134.55 87.51 2.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.858 -179.739 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -70.97 -159.23 3.09 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.513 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 163.82 36.83 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.681 2.254 . . . . 0.0 112.355 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 52.2 p -129.33 118.91 23.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.806 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 p -95.96 -0.99 50.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.904 -179.872 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.177 -0.791 . . . . 0.0 112.517 179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.277 0 N-CA-C 112.507 -0.237 . . . . 0.0 112.507 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.1 m -155.7 165.23 37.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.909 0.385 . . . . 0.0 110.857 -179.744 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -174.86 139.17 0.5 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 159.81 131.6 1.26 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.817 -0.706 . . . . 0.0 112.537 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 m -169.27 150.33 4.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.882 0.373 . . . . 0.0 110.899 -179.757 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.3 t -171.33 167.09 6.97 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.858 -179.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 152.46 91.9 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.442 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 -175.29 1.1 Allowed 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.738 2.292 . . . . 0.0 112.329 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.627 ' HB3' HD22 ' A' ' 24' ' ' LEU . 16.7 m-70 -123.78 96.93 5.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 22.1 ttpt -108.94 120.29 42.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.901 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.548 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.8 t -51.75 153.96 2.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.848 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -123.0 -18.82 6.28 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.89 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.548 HG22 ' SG ' ' A' ' 11' ' ' CYS . 2.7 m -73.56 -37.66 50.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.118 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.1 p -119.83 -40.32 2.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 101.97 41.78 2.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.469 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 14.9 tptt -100.12 130.82 46.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.2 p -82.53 145.63 29.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.868 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.0 m-85 -144.99 142.26 29.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.1 t -95.01 -41.75 8.98 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.866 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 1.8 mpt_? -90.75 157.07 17.61 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 30.9 ttmt -80.59 -39.38 27.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.9 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.9 m-20 -57.94 -49.91 75.15 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.838 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 10.0 mmpt? -41.33 -56.23 2.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.882 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.627 HD22 ' HB3' ' A' ' 9' ' ' HIS . 19.0 tp -56.72 -41.69 77.9 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.913 179.922 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 57.0 tttt -41.0 -65.44 0.43 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.899 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 21.5 m -65.64 -43.14 90.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.136 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.402 ' C ' ' O ' ' A' ' 26' ' ' THR . 83.9 t60 -38.04 -28.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.835 179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 26' ' ' THR . 10.4 mmt -75.59 -44.59 42.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.861 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 66.6 mtt180 -40.69 -38.61 0.93 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.834 -179.918 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.4 t -70.37 -59.77 2.67 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.936 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.471 ' CD2' HG21 ' A' ' 13' ' ' VAL . 34.7 m-70 -38.75 -56.76 1.3 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.432 HG22 ' N ' ' A' ' 33' ' ' GLY . 24.5 m -142.51 156.71 45.17 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.163 -179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.432 ' N ' HG22 ' A' ' 32' ' ' THR . . . 76.68 139.13 0.94 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.48 179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.499 ' O ' ' C ' ' A' ' 35' ' ' LYS . 4.3 m -143.63 165.42 14.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.886 0.374 . . . . 0.0 111.118 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.499 ' C ' ' O ' ' A' ' 34' ' ' VAL . 18.8 mttm -30.28 94.3 0.06 OUTLIER Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.581 0.705 . . . . 0.0 110.863 179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.478 ' N ' ' O ' ' A' ' 34' ' ' VAL . 53.2 Cg_endo -69.85 -50.57 0.44 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.673 2.249 . . . . 0.0 112.314 179.921 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.483 ' CZ ' ' HB3' ' A' ' 49' ' ' SER . 64.4 m-85 -66.65 120.4 13.4 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.88 -179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 39.5 mtpt -129.07 148.27 51.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.869 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 48.7 t -68.97 157.82 35.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.912 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 43.8 mtmt -87.42 -50.77 6.34 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.86 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 31.1 m -72.21 -55.32 7.44 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.108 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -88.17 174.2 8.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -104.31 20.25 18.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.834 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.411 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 17.6 t80 -69.9 154.61 41.73 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.898 -179.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.411 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -132.23 137.9 47.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.081 179.87 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.5 145.21 48.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.057 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -78.51 -44.54 24.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.122 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -98.43 160.19 14.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.483 ' HB3' ' CZ ' ' A' ' 37' ' ' TYR . 61.9 p -71.51 -48.56 48.08 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.868 -179.831 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 12.1 p -59.79 -21.38 60.74 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.8 m -67.02 -46.31 74.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.87 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 6.4 tp -67.84 -37.76 82.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.925 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 4.3 m120 -54.43 -36.81 64.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.852 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -68.61 -45.38 72.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.645 ' CE1' HD13 ' A' ' 58' ' ' ILE . 78.2 t60 -49.28 -45.94 45.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.845 179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 57.4 mt -45.73 -21.79 0.14 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.91 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 97.1 mtt180 -68.73 -57.64 5.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.645 HD13 ' CE1' ' A' ' 55' ' ' HIS . 1.1 pt -36.36 -41.62 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.179 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.487 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.5 m-70 -63.03 -176.37 0.12 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.842 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.451 ' O ' ' C ' ' A' ' 61' ' ' ASP . 67.2 p 41.33 25.51 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.891 -179.75 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.451 ' C ' ' O ' ' A' ' 60' ' ' SER . 1.0 OUTLIER 34.57 42.89 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.877 179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.478 ' OE1' ' N ' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -36.57 142.55 0.09 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.881 -179.9 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.458 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 49.4 mtt180 55.4 53.24 8.65 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.562 0.696 . . . . 0.0 110.88 -179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.458 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.8 Cg_endo -69.75 -18.44 37.07 Favored 'Trans proline' 0 C--O 1.231 0.145 0 C-N-CA 122.687 2.258 . . . . 0.0 112.344 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 43.9 m-85 -86.37 139.9 30.52 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 53.1 mttt -142.3 147.92 37.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.863 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 42.6 t -99.46 149.12 23.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.914 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -82.15 -64.64 1.14 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 61.0 mt -43.87 -43.28 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.129 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.438 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 18.5 p -129.89 153.37 80.93 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.6 0.714 . . . . 0.0 110.882 179.896 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 7.05 1.09 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.659 2.239 . . . . 0.0 112.352 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.438 ' CB ' ' SG ' ' A' ' 70' ' ' CYS . 92.8 t80 -49.73 151.8 1.65 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.931 -179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -150.4 139.05 20.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.492 . . . . 0.0 111.118 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.8 t -136.94 165.11 26.76 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.817 -179.754 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.474 ' CZ ' ' HB2' ' A' ' 75' ' ' ARG . 3.2 ptm85 -104.63 22.31 15.27 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.834 -179.903 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 39.5 t30 -144.37 156.21 44.13 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.838 -179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.0 t -79.22 -61.51 1.99 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 35.5 t -46.59 -52.88 12.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 55.8 mm-40 -40.84 -50.23 3.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 32.3 tp -60.97 -43.03 99.35 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.909 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 90.6 m -50.92 -53.52 32.07 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.13 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -67.41 -48.11 78.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -48.86 -40.0 27.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.847 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 20.3 mt -56.86 -45.71 82.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.443 ' O ' HG23 ' A' ' 88' ' ' THR . 11.3 mtp-105 -51.04 -38.51 51.94 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.911 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 45.7 t -47.2 -34.39 6.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.8 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.8 m-70 -70.86 87.52 0.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.822 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.443 HG23 ' O ' ' A' ' 85' ' ' ARG . 13.2 p -125.48 -53.56 1.58 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.133 -179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 153.06 52.77 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.445 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -77.02 -55.4 5.49 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.78 0.324 . . . . 0.0 110.822 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 24.7 t -83.89 -47.93 10.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.836 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 62.71 153.69 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.524 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 -4.21 13.58 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.721 2.281 . . . . 0.0 112.359 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 70.4 m -68.36 169.85 9.91 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.866 -179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 30.2 t -132.04 148.45 52.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.888 -179.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.28 0 CA-C-O 119.137 -0.813 . . . . 0.0 112.448 -179.966 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 N-CA-C 112.525 -0.23 . . . . 0.0 112.525 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.4 p -136.21 161.09 36.72 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.863 0.363 . . . . 0.0 110.864 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.4 t -173.72 148.56 1.49 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 170.17 139.82 2.84 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.7 t -153.58 113.44 3.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.911 0.386 . . . . 0.0 110.825 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -151.62 127.21 10.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.872 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -147.08 67.31 0.4 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.465 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.8 -168.21 0.26 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.674 2.25 . . . . 0.0 112.354 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 6.7 m170 -84.54 99.35 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.898 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.4 ptmt -96.29 137.73 34.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.472 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -64.87 165.23 11.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.886 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 29.1 tt0 -123.33 -30.43 3.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.901 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.482 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -67.25 -38.71 81.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.143 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 26.0 p -118.33 -39.02 3.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.858 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 94.61 50.11 2.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.508 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tptm -101.9 156.34 17.59 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.801 0.334 . . . . 0.0 110.895 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 11.9 t -97.13 134.93 39.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.425 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 63.5 m-85 -141.52 126.37 18.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.816 -179.859 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.0 t -83.15 -55.5 4.32 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.858 -179.814 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.431 ' NH1' ' HB2' ' A' ' 22' ' ' ASP . 3.6 mtp-105 -93.51 140.71 29.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.889 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 1.4 pmtp? -59.92 -16.75 32.1 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.908 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.431 ' HB2' ' NH1' ' A' ' 20' ' ' ARG . 5.7 m-20 -62.83 -60.32 3.64 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.842 179.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -46.75 -45.01 19.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.933 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.635 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.3 OUTLIER -64.85 -49.43 70.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.879 179.926 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.443 ' C ' ' O ' ' A' ' 24' ' ' LEU . 43.8 tttt -34.57 -63.85 0.28 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.483 ' O ' ' N ' ' A' ' 29' ' ' ARG . 26.3 m -70.33 -43.09 70.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.163 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 26' ' ' THR . 73.0 t60 -35.93 -37.27 0.1 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.834 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.415 ' O ' ' C ' ' A' ' 29' ' ' ARG . 15.1 mmt -66.49 -46.66 75.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.483 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.3 mmm180 -36.83 -43.92 0.46 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.929 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 39.8 t -61.58 -62.18 2.0 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.482 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -44.85 115.31 0.86 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.873 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 74.2 p -57.03 160.27 3.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.161 -179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.69 -124.82 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.462 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.94 138.83 43.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.886 0.374 . . . . 0.0 111.166 -179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.626 ' HB2' ' HB1' ' A' ' 45' ' ' ALA . 34.3 mmtp -145.7 141.17 16.49 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.557 0.694 . . . . 0.0 110.885 179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -10.96 29.83 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.24 . . . . 0.0 112.326 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.471 ' HB3' HD22 ' A' ' 52' ' ' LEU . 29.1 m-85 -107.47 104.53 14.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.903 -179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 68.2 mttt -128.97 126.09 38.84 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.0 t -50.52 142.79 10.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.4 tptt -58.74 -49.4 77.76 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 28.7 m -91.92 -63.68 1.21 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.161 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -61.06 166.51 3.52 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.854 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.2 p30 -110.58 36.66 3.01 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.87 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.537 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 6.2 t80 -90.14 144.77 25.58 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.957 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.626 ' HB1' ' HB2' ' A' ' 35' ' ' LYS . . . -110.15 129.16 55.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.123 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -104.48 139.52 39.27 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.145 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -70.34 -55.33 9.4 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.055 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -113.22 178.15 4.38 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 22.0 t -62.39 -62.48 1.73 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.843 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.1 m -46.68 -49.92 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.866 -179.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.5 t -46.26 -31.58 2.59 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.884 -179.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.471 HD22 ' HB3' ' A' ' 37' ' ' TYR . 53.9 tp -84.04 -31.53 25.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.867 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -66.29 -42.38 88.47 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.908 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 10.5 ptpt -62.84 -23.76 67.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 75.7 t60 -76.73 -45.08 30.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 89.4 mt -56.71 -24.44 49.28 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.443 ' O ' ' N ' ' A' ' 59' ' ' HIS . 18.1 mtp180 -70.55 -52.79 19.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.876 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.484 ' O ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -41.01 -24.91 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.092 179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.443 ' N ' ' O ' ' A' ' 57' ' ' ARG . 74.2 m-70 -72.83 80.77 1.15 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.882 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 8.1 t -81.15 -59.51 2.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.872 -179.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 2.5 p30 -155.34 136.97 14.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 13.6 mp0 -55.23 172.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.911 -179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.461 ' HD3' ' CA ' ' A' ' 74' ' ' SER . 33.6 mtt85 -146.87 121.4 5.2 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.59 0.71 . . . . 0.0 110.876 -179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.66 -34.91 13.93 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.71 2.274 . . . . 0.0 112.385 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.474 ' HB3' HD22 ' A' ' 80' ' ' LEU . 57.4 m-85 -90.83 143.71 26.45 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.881 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.405 ' HG3' ' C ' ' A' ' 65' ' ' PHE . 26.7 mttp -148.74 152.62 36.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.861 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 21.4 t -97.51 162.42 13.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.867 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 35.2 mm-40 -98.56 -59.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.911 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 15.6 mt -50.39 -38.07 15.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.115 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.1 p -131.86 152.57 80.54 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.68 0.752 . . . . 0.0 110.831 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 4.57 2.13 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.691 2.261 . . . . 0.0 112.319 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 73.4 t80 -44.8 168.5 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.892 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.528 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -162.6 142.45 9.43 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.079 -0.509 . . . . 0.0 111.073 179.844 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.461 ' CA ' ' HD3' ' A' ' 63' ' ' ARG . 79.6 p -147.82 153.05 38.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 -179.77 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 10.4 mmt180 -86.33 -51.15 6.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.869 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 73.1 m-80 -57.56 177.33 0.1 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.883 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 48.5 m -106.21 -58.8 1.87 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.868 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 72.0 p -56.68 -16.3 6.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.852 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 -71.39 -47.2 57.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.474 HD22 ' HB3' ' A' ' 65' ' ' PHE . 19.8 tp -66.4 -31.8 72.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.886 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 85.9 m -60.72 -53.67 54.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.16 179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 92.4 t -69.07 -38.95 78.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.122 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 8.1 t60 -50.08 -52.0 38.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 63.9 mt -49.11 -47.77 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.922 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.503 ' CZ ' ' HB3' ' A' ' 85' ' ' ARG . 12.7 mtp-105 -45.9 -45.58 15.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 68.0 m -45.97 -38.99 8.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 73.3 m-70 -65.56 86.37 0.08 Allowed 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.874 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 31.5 p -112.09 103.93 12.14 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.155 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -150.07 -144.58 3.96 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.471 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 51.42 46.99 25.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 0.0 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 1.5 t -135.71 118.92 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.843 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 74.99 73.26 0.97 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.528 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 104.06 1.26 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.729 2.286 . . . . 0.0 112.328 -179.946 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 85.2 p -77.18 102.93 6.83 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.868 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 25.3 p 41.8 41.8 1.95 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 CA-C-O 119.188 -0.784 . . . . 0.0 112.529 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -166.86 169.6 13.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.901 0.382 . . . . 0.0 110.855 -179.713 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.3 t -160.97 161.03 31.44 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -156.98 161.27 30.98 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.509 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 97.9 p -160.98 172.37 17.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.838 0.351 . . . . 0.0 110.91 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.5 m -168.99 149.52 4.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -126.33 74.58 0.42 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.527 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.68 169.36 18.99 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.738 2.292 . . . . 0.0 112.358 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 16.0 m170 -119.5 145.95 45.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.885 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 8.5 ptmt -109.89 136.17 49.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.872 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.7 t -71.32 167.45 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.894 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.449 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.0 OUTLIER -120.98 -45.13 2.38 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.898 -179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.556 HG21 ' CD2' ' A' ' 31' ' ' HIS . 14.7 m -54.19 -44.38 64.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.124 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.422 ' N ' HG23 ' A' ' 13' ' ' VAL . 28.1 p -108.22 -35.63 6.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.848 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 88.14 44.68 5.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.485 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -104.04 163.71 12.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.792 0.33 . . . . 0.0 110.887 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.4 p -121.92 150.65 41.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.1 m-85 -138.79 171.39 14.4 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.8 m -96.38 -50.59 4.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.847 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -89.42 121.86 32.07 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.882 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.81 -12.91 2.16 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.878 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -82.12 -45.34 15.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.886 179.865 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -38.24 -44.17 0.85 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.894 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.454 ' O ' ' C ' ' A' ' 25' ' ' LYS . 8.1 tp -54.86 -52.27 63.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.894 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.454 ' C ' ' O ' ' A' ' 24' ' ' LEU . 25.7 mttm -33.57 -48.72 0.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.878 179.87 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.414 ' C ' ' N ' ' A' ' 28' ' ' MET . 6.2 m -83.95 -33.71 24.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.187 179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.437 ' N ' ' O ' ' A' ' 24' ' ' LEU . 85.2 t60 -44.24 -21.92 0.06 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.811 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.414 ' N ' ' C ' ' A' ' 26' ' ' THR . 15.7 mmt -73.45 -39.66 64.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.833 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.403 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.7 ptm180 -53.93 -16.27 1.77 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.886 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 40.2 m -88.25 -24.55 23.2 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.859 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.556 ' CD2' HG21 ' A' ' 13' ' ' VAL . 57.8 m-70 -88.16 35.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.847 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.455 ' O ' HG23 ' A' ' 32' ' ' THR . 9.0 t -171.25 121.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.153 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 131.7 -122.39 3.37 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.456 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 17.6 m -138.69 -175.33 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.894 0.378 . . . . 0.0 111.116 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.434 ' N ' ' CD ' ' A' ' 36' ' ' PRO . 31.5 mtpt 62.5 54.31 2.21 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.543 0.687 . . . . 0.0 110.923 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.434 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.3 Cg_endo -69.78 -3.58 12.31 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.696 2.264 . . . . 0.0 112.339 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.503 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 96.8 m-85 -94.73 94.5 8.14 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.875 -179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 22.2 mtpp -115.6 144.9 43.23 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.871 179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 12.5 t -60.4 166.4 3.08 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 34.7 mmtm -82.33 -49.11 10.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.861 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.573 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.5 t -95.5 -48.76 5.7 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.174 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.573 ' N ' HG23 ' A' ' 41' ' ' THR . 5.6 m -69.64 171.2 9.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.859 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -117.44 41.69 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.88 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.404 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.6 t80 -98.66 135.61 39.92 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.96 -179.852 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.404 ' O ' ' CE1' ' A' ' 44' ' ' TYR . . . -103.3 129.79 50.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.125 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.69 140.51 48.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.072 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -64.43 -59.07 4.78 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -110.81 169.29 8.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.84 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.503 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 2.1 t -59.46 -63.54 1.26 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.877 -179.778 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 77.6 p -41.77 -53.2 3.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.852 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 30.7 t -42.71 -37.15 1.65 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.824 -179.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 24.3 tp -76.78 -42.04 42.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.897 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.43 ' HA ' HD12 ' A' ' 56' ' ' LEU . 23.5 m-20 -45.77 -32.57 2.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.87 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 29.1 ttpt -71.71 -42.62 67.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.899 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 27.4 t60 -69.21 -28.41 66.34 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.837 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.43 HD12 ' HA ' ' A' ' 53' ' ' ASN . 38.7 mt -74.37 -25.82 59.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.96 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.43 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.4 mtt180 -59.06 -57.71 11.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.627 HD11 ' CE1' ' A' ' 59' ' ' HIS . 0.8 OUTLIER -33.46 -39.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.146 179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.627 ' CE1' HD11 ' A' ' 58' ' ' ILE . 18.6 m-70 -70.8 87.76 0.71 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.855 179.906 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 27.0 t -124.72 -60.97 1.35 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.818 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 56.99 46.72 18.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -95.64 39.51 1.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.447 ' HD3' ' N ' ' A' ' 63' ' ' ARG . 1.0 OUTLIER -115.8 128.52 25.91 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.582 0.706 . . . . 0.0 110.887 -179.918 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 -50.31 0.48 Allowed 'Trans proline' 0 N--CA 1.465 -0.163 0 C-N-CA 122.733 2.289 . . . . 0.0 112.34 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 86.6 m-85 -90.15 138.9 31.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.887 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -145.05 136.97 25.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.867 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 49.5 t -76.5 149.07 36.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.896 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.7 mm100 -78.4 -61.31 2.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.922 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 50.7 mt -47.01 -55.69 1.71 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.089 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 26.9 p -114.24 152.96 46.42 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.601 0.715 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.73 3.67 2.62 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.652 2.234 . . . . 0.0 112.371 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.463 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.3 t80 -48.69 166.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.968 -179.928 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.463 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -166.95 144.32 4.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.061 179.827 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 66.2 p -134.88 124.98 25.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.894 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.47 -19.49 0.56 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.894 -179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -113.1 156.91 22.32 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 69.1 p -79.12 -56.04 4.66 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 83.3 p -45.97 -41.81 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 51.3 mm-40 -54.69 -43.61 72.67 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 5.6 tp -66.81 -43.17 84.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.906 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 50.0 m -53.33 -47.5 69.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.14 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 85.1 t -70.22 -32.95 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -64.64 -45.35 87.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.832 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 14.6 mt -44.26 -52.45 7.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.898 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -39.24 -47.01 1.6 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 59.7 m -41.0 -43.01 2.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 83.3 m-70 -69.26 83.87 0.37 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.813 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.411 ' O ' HG23 ' A' ' 88' ' ' THR . 9.9 t -133.57 124.95 27.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.143 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 50.86 63.89 4.17 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.506 179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 34.5 t70 -136.14 168.73 18.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.837 0.351 . . . . 0.0 110.865 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 48.0 p -109.46 41.92 1.57 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.836 -179.733 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 40.3 -158.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -179.38 2.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.707 2.272 . . . . 0.0 112.321 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 20.9 t -79.91 126.15 30.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.867 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.7 p -74.54 -47.88 30.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.872 -179.819 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 CA-C-O 119.132 -0.815 . . . . 0.0 112.471 179.993 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 53.4 p -162.7 172.89 14.6 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.87 0.367 . . . . 0.0 110.89 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 90.5 p -130.64 174.32 10.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.895 -179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.05 -156.09 6.7 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.517 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 m -149.29 166.07 30.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.855 0.36 . . . . 0.0 110.881 -179.755 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.6 m -146.95 165.68 29.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.882 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -137.82 -171.21 12.1 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.435 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 144.47 54.0 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.701 2.268 . . . . 0.0 112.329 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -126.64 119.21 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.851 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.7 tttm -110.55 116.9 32.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -56.63 128.2 35.17 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.919 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -100.54 -38.79 8.22 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.477 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.4 m -46.27 -41.19 4.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 32.0 p -113.1 -36.99 4.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.849 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 103.08 25.49 7.46 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.469 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.6 tttp -91.34 136.01 33.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.794 0.331 . . . . 0.0 110.867 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 8.3 t -92.0 138.41 31.57 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.843 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.9 m-85 -138.59 132.71 31.47 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.873 -179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.9 m -74.03 -46.52 42.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.814 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.8 mmt180 -81.64 152.31 27.19 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.878 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 47.5 tttp -80.02 -34.33 38.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.935 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -75.92 -40.5 54.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.875 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.3 mtpt -48.37 -47.87 37.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.501 HD23 ' N ' ' A' ' 25' ' ' LYS . 0.3 OUTLIER -73.37 -37.03 66.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.918 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.501 ' N ' HD23 ' A' ' 24' ' ' LEU . 32.3 mtpt -52.57 -60.04 3.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.913 179.82 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 39.2 m -67.19 -38.2 84.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.15 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -46.2 -36.02 5.66 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.834 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.47 ' O ' ' C ' ' A' ' 29' ' ' ARG . 3.0 mtt -57.03 -35.26 69.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.86 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.47 ' C ' ' O ' ' A' ' 28' ' ' MET . 20.8 mtp85 -32.64 -41.97 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.848 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.413 ' O ' ' C ' ' A' ' 31' ' ' HIS . 97.0 m -60.34 -64.24 1.02 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.477 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.7 m-70 -36.85 -70.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.521 HG23 ' O ' ' A' ' 32' ' ' THR . 3.0 t -166.35 122.76 1.28 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -143.96 -94.35 0.19 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.487 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.518 ' O ' HG23 ' A' ' 34' ' ' VAL . 14.4 m -117.78 97.96 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.906 0.384 . . . . 0.0 111.086 -179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.423 ' HD3' ' HB1' ' A' ' 45' ' ' ALA . 0.3 OUTLIER -125.57 116.28 24.9 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.579 0.704 . . . . 0.0 110.923 179.856 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -30.82 21.88 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.68 2.253 . . . . 0.0 112.33 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.488 ' HB3' HD22 ' A' ' 52' ' ' LEU . 21.0 m-85 -91.18 90.17 7.67 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.93 -179.895 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -127.1 139.29 53.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.889 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.0 t -63.43 145.67 55.14 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.859 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.7 mtmt -70.63 -50.96 31.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.865 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 86.9 m -77.64 -51.75 10.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.171 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 2.8 m -83.76 172.66 11.99 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.2 m-20 -117.17 40.72 2.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.62 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 10.8 t80 -85.59 134.5 34.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.918 -179.868 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.423 ' HB1' ' HD3' ' A' ' 35' ' ' LYS . . . -101.69 122.0 43.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.108 179.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.62 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -116.51 125.77 52.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.094 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -66.15 -55.96 13.78 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.129 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.0 t70 -99.5 147.44 25.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.855 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 41.5 m -49.12 -48.53 44.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.846 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 41.0 p -43.11 -54.2 4.52 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.844 -179.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.459 ' HB2' ' HB1' ' A' ' 46' ' ' ALA . 3.4 m -43.61 -44.12 6.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.488 HD22 ' HB3' ' A' ' 37' ' ' TYR . 9.5 tp -74.88 -44.22 50.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.923 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 7.4 m-80 -48.71 -34.61 12.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . 0.433 ' HA ' ' CZ ' ' A' ' 57' ' ' ARG . 0.0 OUTLIER -81.91 -32.86 30.72 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.933 179.882 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -68.49 -39.59 81.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 19.5 mt -67.14 -23.75 65.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.929 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.433 ' CZ ' ' HA ' ' A' ' 54' ' ' LYS . 40.7 mtm-85 -68.13 -45.93 72.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.866 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.4 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.6 OUTLIER -47.51 -35.32 3.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.095 179.995 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 96.0 m-70 -71.44 -175.24 1.23 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.843 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 48.9 m -127.5 100.08 5.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.861 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -136.97 150.41 48.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.482 ' O ' ' C ' ' A' ' 63' ' ' ARG . 8.9 mm-40 -69.53 -50.33 46.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.883 -179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.4 ppt_? 30.84 54.21 0.71 Allowed Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.654 0.74 . . . . 0.0 110.893 -179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.467 ' HG2' ' CD1' ' A' ' 65' ' ' PHE . 53.2 Cg_endo -69.78 -6.26 18.19 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.655 2.237 . . . . 0.0 112.325 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.467 ' CD1' ' HG2' ' A' ' 64' ' ' PRO . 75.7 m-85 -107.71 143.56 36.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.894 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.417 ' HD2' ' N ' ' A' ' 66' ' ' LYS . 7.1 mptt -142.15 155.54 45.32 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.879 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 28.0 t -102.29 149.75 24.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 82.5 mt-30 -77.66 -61.57 1.95 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.92 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.765 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -49.76 -63.77 0.36 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.198 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 25.0 p -108.1 152.59 41.86 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.602 0.715 . . . . 0.0 110.884 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.8 2.44 3.55 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.736 2.291 . . . . 0.0 112.297 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 83.0 t80 -43.52 158.41 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.957 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -149.21 149.62 31.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.073 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.7 t -146.04 150.86 36.78 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.844 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 9.4 ptm180 -79.57 -39.51 31.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.895 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 4.0 p30 -102.45 149.37 24.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.912 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.432 ' O ' ' C ' ' A' ' 78' ' ' SER . 32.1 p -68.3 -48.66 64.36 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.821 -179.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.432 ' C ' ' O ' ' A' ' 77' ' ' SER . 19.5 m -35.5 -59.78 0.53 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.88 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 9.3 mt-30 -48.51 -47.34 38.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.95 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 26.5 tp -61.3 -49.12 78.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.925 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 96.3 m -45.18 -48.87 12.42 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.118 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.442 ' O ' ' C ' ' A' ' 83' ' ' HIS . 90.1 t -75.42 -56.99 7.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.133 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' C ' ' O ' ' A' ' 82' ' ' VAL . 4.1 t60 -34.5 -42.75 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.826 179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.428 ' O ' ' C ' ' A' ' 85' ' ' ARG . 10.6 mt -55.77 -50.36 70.64 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.94 -179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.441 ' N ' ' O ' ' A' ' 82' ' ' VAL . 49.0 mtt-85 -36.33 -44.41 0.42 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.852 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 20.5 m -48.43 -49.99 32.94 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.474 ' CD2' HD13 ' A' ' 69' ' ' ILE . 50.5 m-70 -59.95 -68.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.857 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 37.9 p -46.42 167.55 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.108 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 82.77 165.3 36.92 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.493 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -92.56 87.35 5.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.829 0.347 . . . . 0.0 110.905 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 61.9 m -118.27 -50.33 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.916 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 115.66 69.93 0.46 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.547 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -50.34 0.48 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.735 2.29 . . . . 0.0 112.311 -179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 74.4 p -175.02 164.24 3.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.839 -179.793 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.1 t -43.12 141.88 1.11 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 CA-C-O 119.123 -0.821 . . . . 0.0 112.522 -179.963 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.494 -0.242 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -171.81 154.26 3.55 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.91 0.386 . . . . 0.0 110.849 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.3 m -161.89 176.52 10.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.863 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 173.69 163.64 27.55 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.505 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -171.65 173.94 4.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.893 0.378 . . . . 0.0 110.836 -179.745 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 22.6 t -174.3 154.36 2.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.856 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.12 85.64 0.31 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 147.31 62.83 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.681 2.254 . . . . 0.0 112.354 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 21.9 m-70 -115.3 147.95 39.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.505 ' CB ' ' O ' ' A' ' 16' ' ' LYS . 2.7 ptmt -132.99 155.22 49.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.879 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.539 ' HA ' HD11 ' A' ' 24' ' ' LEU . 3.1 t -46.43 165.36 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -121.29 -24.62 5.42 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.846 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.518 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -75.65 -34.13 28.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.175 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -123.65 -40.75 2.31 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 99.09 60.11 0.88 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.505 ' O ' ' CB ' ' A' ' 10' ' ' LYS . 20.1 tttm -107.44 150.65 26.54 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.774 0.321 . . . . 0.0 110.887 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 28.9 p -89.65 129.95 36.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.878 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 30.4 m-85 -131.74 155.07 48.34 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.864 -179.842 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 18.4 m -76.46 -53.9 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.857 -179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 49.9 mtt180 -117.57 170.58 8.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.845 -179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 8.6 ptpt -79.04 -41.36 29.02 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.911 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -44.63 -49.52 10.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.0 mttm -53.85 -37.37 63.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.876 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.539 HD11 ' HA ' ' A' ' 11' ' ' CYS . 16.0 tp -59.42 -55.9 28.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.931 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -42.3 -40.15 2.36 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.767 HG22 ' HD3' ' A' ' 29' ' ' ARG . 4.6 m -84.65 -28.55 26.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.179 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 31.8 t60 -57.96 -23.58 54.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 1.8 mtt -78.32 -6.41 55.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.767 ' HD3' HG22 ' A' ' 26' ' ' THR . 26.6 ptt-85 -63.37 -16.11 59.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.882 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 6.3 m -115.33 19.91 15.21 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.852 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.469 ' CD2' HG21 ' A' ' 13' ' ' VAL . 10.9 m-70 -111.84 -55.74 2.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.846 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 29.9 p -56.84 116.13 2.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.14 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -117.18 127.63 7.49 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.473 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.3 m -95.93 43.15 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.901 0.382 . . . . 0.0 111.124 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -126.66 75.84 74.74 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.542 0.687 . . . . 0.0 110.892 179.911 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 -29.41 23.84 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.669 2.246 . . . . 0.0 112.376 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.584 ' HB3' HD22 ' A' ' 52' ' ' LEU . 55.7 m-85 -74.19 98.24 3.12 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.886 -179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 35.3 mttp -127.65 137.89 52.66 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.89 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 7.6 t -60.28 167.01 2.64 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -80.23 -57.98 3.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.915 179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 7.0 t -88.24 -39.67 14.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.157 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 12.9 m -80.28 166.71 21.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.878 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.0 p-10 -117.67 39.7 3.27 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.766 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 1.9 t80 -85.18 134.14 34.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.883 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -104.39 120.53 41.43 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.117 179.817 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.766 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -122.13 138.32 54.5 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.062 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.15 30.58 2.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.095 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -161.21 139.81 9.82 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 82.3 p -58.05 -41.67 83.77 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.841 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.491 ' O ' ' N ' ' A' ' 53' ' ' ASN . 22.9 p -64.62 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.866 -179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 1.7 m -40.58 -34.15 0.34 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.832 -179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.584 HD22 ' HB3' ' A' ' 37' ' ' TYR . 14.3 tp -78.92 -35.88 42.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.491 ' N ' ' O ' ' A' ' 50' ' ' SER . 5.3 m-20 -68.22 -46.39 70.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 12.8 ptpt -59.2 -26.05 64.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.946 179.887 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 49.9 t60 -72.94 -55.0 7.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.843 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.8 mt -57.09 -13.7 3.16 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.919 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 68.3 mtt180 -76.46 -46.13 28.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.891 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.453 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 0.7 OUTLIER -50.35 -39.48 16.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.139 179.928 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.453 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 8.6 m-70 -44.86 97.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.819 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 15.1 m -120.79 86.28 2.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.83 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 84.2 m-20 -110.42 47.54 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.848 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -48.66 -25.31 1.71 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.915 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.516 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 2.0 mpt_? -53.96 150.25 15.3 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.609 0.719 . . . . 0.0 110.865 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.79 -47.48 0.91 Allowed 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.692 2.261 . . . . 0.0 112.339 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 31.0 m-85 -83.74 133.66 34.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.847 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.2 mttp -136.31 154.32 50.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.901 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 41.0 t -99.94 149.41 23.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.918 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -81.9 -60.68 2.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.914 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.787 HD12 ' H ' ' A' ' 69' ' ' ILE . 5.4 mp -48.32 -49.16 13.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.076 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.3 p -122.5 152.51 61.53 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.571 0.701 . . . . 0.0 110.908 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 3.48 2.77 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.68 2.253 . . . . 0.0 112.297 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.461 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.2 t80 -43.09 166.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.97 -179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.516 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -161.78 142.79 10.89 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.121 179.872 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.7 t -149.76 135.68 18.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.808 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.47 ' HG3' ' N ' ' A' ' 76' ' ' ASN . 12.6 ptp180 -67.44 -44.9 77.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.903 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.47 ' N ' ' HG3' ' A' ' 75' ' ' ARG . 9.8 m120 -75.9 174.28 10.12 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.871 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 41.1 t -96.92 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.835 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.9 t -42.26 -57.71 2.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.881 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 2.7 mp0 -37.74 -53.86 1.24 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.939 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 12.6 tp -67.12 -43.79 81.55 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.943 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 93.5 m -48.47 -45.13 36.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.134 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.6 t -75.42 -46.83 36.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.111 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -50.41 -53.93 25.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.882 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.9 mt -44.25 -44.07 7.7 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.929 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 77.3 mtp180 -44.28 -37.21 3.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.876 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 31.4 m -51.62 -39.76 58.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.815 -179.737 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 79.4 m-70 -74.33 83.61 1.91 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -155.07 154.48 32.5 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.117 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 118.35 -45.93 1.2 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.48 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -90.99 105.76 18.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.342 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 4.9 m -66.82 103.74 1.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.753 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 135.79 129.07 2.81 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.478 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 161.74 44.77 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.648 2.232 . . . . 0.0 112.301 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 90.6 p -108.51 156.71 19.18 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 -179.835 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -109.36 -49.6 3.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.836 -179.778 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.124 -0.82 . . . . 0.0 112.475 -179.985 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.292 0 N-CA-C 112.512 -0.235 . . . . 0.0 112.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 3' ' ' SER . 30.1 m -94.05 110.81 22.49 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.916 0.389 . . . . 0.0 110.861 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.423 ' C ' ' O ' ' A' ' 2' ' ' SER . 7.4 t -36.49 -58.69 0.7 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.801 -179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.18 -156.12 20.19 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.465 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.0 p -165.99 158.15 14.43 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.903 0.382 . . . . 0.0 110.886 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.8 m -159.4 143.75 15.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.0 95.11 0.16 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.498 -179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 -163.93 0.12 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.742 2.294 . . . . 0.0 112.313 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.41 ' CD2' ' HB2' ' A' ' 21' ' ' LYS . 27.8 m-70 -95.41 115.55 27.59 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.838 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.3 tttt -114.43 142.73 45.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -87.43 160.17 18.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.85 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -124.02 -45.46 2.0 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.604 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.4 m -47.51 -43.85 9.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.1 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.432 ' N ' HG23 ' A' ' 13' ' ' VAL . 19.8 p -116.8 -37.82 3.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.883 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 98.92 29.64 7.16 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 32.5 tttm -92.78 131.7 37.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.737 0.303 . . . . 0.0 110.894 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.5 p -89.01 157.68 18.28 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.872 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.6 m-85 -143.43 175.37 9.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 11.9 p -104.38 -62.8 1.27 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.858 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -98.84 139.97 33.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.861 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.41 ' HB2' ' CD2' ' A' ' 9' ' ' HIS . 34.7 ttpt -57.74 -36.45 72.08 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.867 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 27.8 t70 -51.69 -43.87 62.92 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.851 179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.26 -44.47 95.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.928 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.633 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.9 OUTLIER -57.62 -49.91 74.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.921 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 24' ' ' LEU . 78.6 mttt -33.83 -54.66 0.47 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.935 179.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.482 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -71.69 -43.77 65.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.401 ' C ' ' O ' ' A' ' 26' ' ' THR . 68.6 t60 -38.35 -36.87 0.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.852 179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 8.1 mmt -74.84 -40.54 60.98 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.864 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.482 ' N ' ' O ' ' A' ' 26' ' ' THR . 27.1 mmm180 -38.92 -39.42 0.53 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.901 -179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.3 m -74.08 -51.13 16.7 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.88 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.604 ' CD2' HG21 ' A' ' 13' ' ' VAL . 22.8 m-70 -42.93 -53.24 4.82 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.828 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 34.3 p -69.42 146.62 51.88 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.149 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -158.15 111.94 0.5 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.53 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.5 m -55.01 -175.0 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.924 0.392 . . . . 0.0 111.115 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.753 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 37.6 mttt 63.15 53.97 1.8 Allowed Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.593 0.711 . . . . 0.0 110.911 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 54.4 Cg_endo -69.73 -2.03 9.45 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.702 2.268 . . . . 0.0 112.381 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.671 ' HB3' HD22 ' A' ' 52' ' ' LEU . 49.7 m-85 -92.3 92.72 8.29 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.903 -179.903 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 53.6 mttm -112.7 142.56 45.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.873 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 13.4 t -67.0 161.47 24.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.4 mptp? -67.93 -50.04 58.3 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.518 HG23 ' N ' ' A' ' 42' ' ' CYS . 15.0 t -96.25 -45.93 6.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.168 179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.518 ' N ' HG23 ' A' ' 41' ' ' THR . 3.4 m -77.39 163.33 26.49 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.895 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -112.11 40.38 2.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.491 ' CZ ' ' HB2' ' A' ' 46' ' ' ALA . 3.0 t80 -87.95 125.0 34.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.954 -179.855 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.753 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -103.09 121.59 42.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.163 179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.491 ' HB2' ' CZ ' ' A' ' 44' ' ' TYR . . . -115.31 151.89 33.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.11 179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -86.85 -51.98 5.75 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.087 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 78.5 m-20 -84.73 158.38 20.78 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.827 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 78.5 p -71.66 -37.44 70.8 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.848 -179.738 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 25.4 p -71.71 -20.28 61.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.875 -179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 27.6 m -71.8 -35.71 70.06 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.832 -179.783 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.671 HD22 ' HB3' ' A' ' 37' ' ' TYR . 21.8 tp -79.95 -31.09 39.99 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.927 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 17.4 m-20 -69.31 -45.34 69.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 15.9 ptmt -58.09 -24.61 59.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.472 ' O ' HG23 ' A' ' 58' ' ' ILE . 68.3 t60 -75.46 -58.03 3.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.862 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 50.3 mt -48.09 -20.11 0.32 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 25.7 mtt-85 -68.75 -52.83 26.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.865 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.472 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.9 OUTLIER -42.67 -31.45 0.45 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.117 179.923 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -60.9 121.16 11.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.843 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 3.7 m 62.39 47.05 5.44 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 8.6 p-10 -80.78 135.81 36.03 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.845 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 35.2 tt0 -81.57 132.76 35.32 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.875 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.501 ' CZ ' ' HB3' ' A' ' 73' ' ' ALA . 28.8 mtm180 -137.18 129.38 16.88 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.655 0.74 . . . . 0.0 110.866 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -42.55 3.32 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.711 2.274 . . . . 0.0 112.287 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 78.1 m-85 -88.51 123.3 32.89 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.89 -179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -127.16 165.28 19.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.89 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.0 t -100.17 161.28 13.7 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 33.1 mt-30 -92.21 -59.53 2.07 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 90.3 mt -52.43 -47.61 46.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.122 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.415 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 25.0 p -120.72 154.18 57.16 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.624 0.726 . . . . 0.0 110.872 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 6.96 1.12 Allowed 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.669 2.246 . . . . 0.0 112.338 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.523 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 88.7 t80 -51.87 169.14 0.07 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.523 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.92 155.99 17.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.072 179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.3 t -145.75 173.72 11.84 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.876 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 1.4 mpt_? -92.66 -38.96 11.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.903 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 66.2 m-80 -96.03 159.12 15.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.905 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 23.3 t -76.33 -60.98 2.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.865 -179.874 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 33.2 p -40.58 -53.01 2.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.875 -179.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 6.1 mm100 -40.72 -49.03 3.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.912 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 19.4 tp -63.02 -46.97 85.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.944 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 84.9 m -49.1 -45.05 42.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.164 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 44.9 t -75.61 -52.54 18.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.42 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -38.95 -38.95 0.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.885 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.8 mt -48.54 -45.89 38.04 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.921 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.29 -36.06 29.99 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.845 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 22.1 m -48.01 -28.93 3.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.814 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 77.4 m-70 -76.92 88.56 3.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.911 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.6 t -167.75 132.17 1.8 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.086 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 146.06 -90.32 0.15 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.483 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 92.2 m-20 -42.52 106.08 0.06 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.821 0.344 . . . . 0.0 110.904 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 25.7 m -157.53 139.83 14.53 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.814 -179.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 110.98 -104.66 1.78 Allowed Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.492 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -8.68 24.23 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.677 2.252 . . . . 0.0 112.39 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 23.7 m -119.11 121.82 40.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 -179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 29.4 t -41.85 152.92 0.07 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.856 -179.776 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.419 -179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.291 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -167.97 174.17 7.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.839 0.352 . . . . 0.0 110.901 -179.715 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 83.7 p -167.13 175.56 7.41 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.872 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -149.57 -169.04 15.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -174.55 166.56 3.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.896 0.379 . . . . 0.0 110.831 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 94.0 p -174.16 178.29 2.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.84 -179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 179.67 143.29 5.42 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.489 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 169.65 18.5 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.702 2.268 . . . . 0.0 112.319 -179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.556 ' HB3' HD22 ' A' ' 24' ' ' LEU . 52.5 m-70 -124.52 123.53 40.31 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.856 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.9 ttpt -131.78 142.16 49.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.939 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.645 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.6 t -92.88 153.4 18.84 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -119.41 -28.75 5.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.911 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.847 HG21 ' CD2' ' A' ' 31' ' ' HIS . 21.4 m -61.53 -34.73 62.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.134 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -126.04 -32.52 2.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 93.44 37.41 5.6 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 mtpp -100.19 159.57 15.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.776 0.322 . . . . 0.0 110.938 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 30.7 p -125.18 149.51 47.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.504 ' CE2' ' CD2' ' A' ' 27' ' ' HIS . 62.9 m-85 -139.97 140.94 36.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 1.8 m -69.26 -43.97 72.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.846 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 54.1 mtt180 -104.08 174.78 5.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.411 ' HD2' ' N ' ' A' ' 22' ' ' ASP . 1.6 pptp? -87.67 -37.09 17.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.907 -179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.411 ' N ' ' HD2' ' A' ' 21' ' ' LYS . 12.9 t70 -44.54 -54.58 5.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.912 179.84 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.435 ' HB3' ' CD1' ' A' ' 18' ' ' PHE . 22.5 mmtt -48.85 -53.89 17.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.903 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.556 HD22 ' HB3' ' A' ' 9' ' ' HIS . 10.1 tp -55.69 -49.28 73.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.949 179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 40.3 tttt -39.09 -66.36 0.29 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.914 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.519 ' O ' ' N ' ' A' ' 29' ' ' ARG . 6.5 m -69.51 -47.84 62.52 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.135 179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.504 ' CD2' ' CE2' ' A' ' 18' ' ' PHE . 37.9 t60 -33.86 -39.33 0.06 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.856 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.456 ' O ' ' C ' ' A' ' 29' ' ' ARG . 4.0 mmt -65.19 -47.0 78.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.877 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.519 ' N ' ' O ' ' A' ' 26' ' ' THR . 23.7 mtp180 -33.48 -37.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.873 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.442 ' N ' ' O ' ' A' ' 28' ' ' MET . 14.5 m -64.01 -57.03 10.93 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.863 -179.937 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.847 ' CD2' HG21 ' A' ' 13' ' ' VAL . 26.7 m-70 -58.04 -52.41 65.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.893 -179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 61.8 p -54.87 162.61 1.21 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.097 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 75.99 76.76 0.78 Allowed Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.519 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.3 m -110.91 44.07 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.9 0.381 . . . . 0.0 111.175 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.489 ' HG2' ' HB2' ' A' ' 47' ' ' ALA . 59.7 mttt 70.26 54.49 0.45 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.58 0.705 . . . . 0.0 110.9 179.93 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.444 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.7 Cg_endo -69.74 0.54 5.48 Favored 'Trans proline' 0 C--O 1.232 0.188 0 C-N-CA 122.737 2.291 . . . . 0.0 112.277 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.672 ' HB3' HD22 ' A' ' 52' ' ' LEU . 92.0 m-85 -101.5 98.04 8.42 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.884 -179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 6.9 mptt -119.8 153.54 35.59 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.872 179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 9.1 t -77.91 130.93 37.2 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.875 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.67 -20.14 45.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.931 179.867 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 87.0 m -106.75 -60.93 1.6 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.134 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 3.0 m -77.3 166.46 23.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 61.9 m-20 -104.57 36.12 2.52 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.829 179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 19.5 t80 -89.53 147.15 24.13 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.944 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -125.12 124.04 40.99 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.082 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.433 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -114.81 129.22 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.094 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.489 ' HB2' ' HG2' ' A' ' 35' ' ' LYS . . . -83.38 37.47 0.57 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.09 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -169.5 133.53 1.34 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.943 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 21.2 t -52.9 -48.23 67.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 49.7 m -62.3 -47.16 85.52 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.877 -179.799 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.433 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 3.5 m -44.69 -51.04 9.59 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.871 -179.86 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.672 HD22 ' HB3' ' A' ' 37' ' ' TYR . 16.8 tp -63.35 -38.55 91.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' O ' ' NH1' ' A' ' 57' ' ' ARG . 3.0 m120 -60.45 -35.92 77.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 8.1 mmpt? -73.47 -13.2 61.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.883 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 57.1 t60 -85.9 -32.42 21.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.867 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 39.6 mt -61.31 -24.24 66.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.915 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.493 ' N ' ' HD2' ' A' ' 57' ' ' ARG . 0.5 OUTLIER -68.61 -48.98 62.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 179.959 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -43.92 -31.42 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.166 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 40.6 m-70 -65.14 -57.09 9.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.863 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 80.3 p -131.21 142.42 50.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.9 -179.803 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -50.32 163.73 0.15 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 23.6 mt-10 -65.6 163.64 15.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.876 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -65.65 145.83 99.02 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.632 0.73 . . . . 0.0 110.85 -179.886 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 -46.0 1.37 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.681 2.254 . . . . 0.0 112.306 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 57.0 m-85 -81.62 141.46 33.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.2 mtmp? -148.29 137.52 21.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.871 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 53.1 t -73.08 161.32 30.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.894 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 83.9 mt-30 -91.25 -49.89 6.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.905 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.645 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.3 mp -62.32 -52.77 55.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.105 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 22.9 p -112.66 152.92 45.1 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.636 0.732 . . . . 0.0 110.912 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 4.59 2.13 Favored 'Trans proline' 0 C--N 1.342 0.211 0 C-N-CA 122.671 2.247 . . . . 0.0 112.343 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.528 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 80.6 t80 -44.19 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.543 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -161.2 140.7 10.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.073 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 88.0 p -132.65 152.14 51.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.794 -179.771 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 24.0 ptt180 -73.72 -32.89 64.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.894 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.8 p30 -116.87 174.06 6.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.401 ' O ' ' C ' ' A' ' 78' ' ' SER . 43.1 p -84.08 -46.25 12.17 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.877 -179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 77' ' ' SER . 72.3 m -37.95 -59.01 0.88 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.839 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 24.7 mm100 -45.1 -54.49 6.69 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.868 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.9 tp -51.22 -44.91 61.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.894 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 91.0 m -50.09 -48.0 53.5 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.117 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' HIS . 85.2 t -74.65 -57.76 5.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.151 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' VAL . 3.8 t60 -36.82 -47.39 0.68 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.817 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.445 ' O ' ' N ' ' A' ' 86' ' ' SER . 16.3 mt -45.24 -48.83 12.74 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.939 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.407 ' C ' ' O ' ' A' ' 84' ' ' LEU . 69.0 mtt-85 -37.44 -31.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.873 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 84' ' ' LEU . 3.2 t -55.19 -50.74 68.59 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.829 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.59 ' O ' HG23 ' A' ' 88' ' ' THR . 62.9 m-70 -72.73 88.4 1.3 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.873 179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.59 HG23 ' O ' ' A' ' 87' ' ' HIS . 1.6 p -161.54 136.27 7.21 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.114 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 46.48 58.64 5.79 Favored Glycine 0 N--CA 1.45 -0.395 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.502 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 -64.73 157.25 27.97 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.77 0.319 . . . . 0.0 110.876 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 30.7 t -119.61 134.33 55.27 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.863 -179.772 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 86.88 -163.99 35.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.477 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 136.98 34.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.676 2.25 . . . . 0.0 112.321 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.9 p -84.35 122.48 28.99 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.848 -179.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 32.8 t 48.62 42.09 18.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.842 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 CA-C-O 119.14 -0.811 . . . . 0.0 112.481 179.993 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.469 -0.253 . . . . 0.0 112.469 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 61.6 p -173.06 134.0 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.852 0.358 . . . . 0.0 110.865 -179.774 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.1 m -165.8 177.84 6.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 144.75 119.29 1.29 Allowed Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.55 -179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 59.0 m -158.6 130.11 6.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.873 0.368 . . . . 0.0 110.867 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 20.4 m -161.09 165.55 29.47 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.853 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 117.68 -168.14 12.92 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.497 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.87 152.97 68.89 Favored 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.688 2.259 . . . . 0.0 112.313 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 38.7 m-70 -119.44 94.81 4.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 25.5 tttp -108.88 115.17 29.57 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.941 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.488 ' SG ' ' CG2' ' A' ' 13' ' ' VAL . 1.8 t -76.06 50.47 0.61 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.431 ' C ' ' O ' ' A' ' 11' ' ' CYS . 7.4 tp10 -36.14 -41.07 0.24 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.839 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.615 HG21 ' CD2' ' A' ' 31' ' ' HIS . 15.0 m -35.82 -46.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.146 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.442 ' N ' HG23 ' A' ' 13' ' ' VAL . 20.3 p -114.1 -38.87 4.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.886 -179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 118.55 33.96 1.14 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.5 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.537 ' HD3' ' CE1' ' A' ' 27' ' ' HIS . 29.3 tttt -107.66 153.43 22.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.736 0.303 . . . . 0.0 110.916 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 64.9 m -131.48 129.52 41.24 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.885 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.703 ' CZ ' HD13 ' A' ' 24' ' ' LEU . 0.1 OUTLIER -146.7 173.37 12.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.889 -179.876 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 2.4 m -131.04 26.79 4.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -138.07 118.0 13.33 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.869 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 50.2 tttt -59.01 -29.34 67.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -52.34 -57.63 9.18 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 23.9 mttt -59.93 -63.86 1.15 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.849 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.703 HD13 ' CZ ' ' A' ' 18' ' ' PHE . 59.7 tp -37.97 -50.91 1.34 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.861 179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.9 tttp -38.35 -65.9 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.92 179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.505 ' O ' ' N ' ' A' ' 28' ' ' MET . 93.0 m -70.21 -59.04 3.12 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.537 ' CE1' ' HD3' ' A' ' 16' ' ' LYS . 77.0 t60 -32.93 -34.83 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.838 179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.505 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.2 mmt -56.69 -58.61 7.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.849 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.418 ' HG2' ' O ' ' A' ' 26' ' ' THR . 0.0 OUTLIER 38.71 25.99 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.885 -179.925 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.499 ' N ' ' O ' ' A' ' 28' ' ' MET . 12.4 t 67.99 54.96 0.58 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.615 ' CD2' HG21 ' A' ' 13' ' ' VAL . 12.7 m-70 -40.3 -73.55 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.866 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 22.2 p -149.0 162.31 40.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.271 -0.422 . . . . 0.0 111.12 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 133.84 -22.87 3.8 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.468 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -77.6 -38.1 25.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-O 120.873 0.368 . . . . 0.0 111.166 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.854 ' HG2' ' HB1' ' A' ' 45' ' ' ALA . 13.6 mptt -121.6 68.61 22.47 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.557 0.694 . . . . 0.0 110.913 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.68 -1.84 9.09 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.739 2.293 . . . . 0.0 112.366 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 54.3 m-85 -132.79 100.7 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.92 -179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 81.5 mttt -125.45 124.24 40.99 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.87 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 10.6 t -58.07 145.9 34.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -81.1 -62.85 1.54 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.478 HG23 ' SG ' ' A' ' 42' ' ' CYS . 4.7 t -54.98 -45.85 75.04 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.155 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.478 ' SG ' HG23 ' A' ' 41' ' ' THR . 13.7 m -93.58 158.15 15.84 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.876 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -98.25 18.54 16.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 179.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.7 t80 -79.96 147.65 31.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.911 -179.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.854 ' HB1' ' HG2' ' A' ' 35' ' ' LYS . . . -113.58 141.3 47.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.128 179.839 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -121.77 127.34 50.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.097 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -63.22 -48.03 79.99 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.072 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -130.92 171.17 13.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.888 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.6 m -47.73 -51.36 22.4 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.896 -179.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 17.6 m -50.83 -55.93 14.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.871 -179.877 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 m -39.76 -55.87 1.85 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.85 -179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 10.5 tp -59.19 -40.29 85.24 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.915 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.413 ' HA ' HD12 ' A' ' 56' ' ' LEU . 18.6 m-80 -59.62 -28.99 67.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.906 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 26.2 ttpt -77.38 -23.82 50.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.753 ' O ' HG23 ' A' ' 58' ' ' ILE . 5.4 t60 -88.2 -52.46 5.22 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.881 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 HD12 ' HA ' ' A' ' 53' ' ' ASN . 7.1 mt -48.5 -18.89 0.27 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.909 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 32.0 mtp180 -53.55 -33.29 54.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.883 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.753 HG23 ' O ' ' A' ' 55' ' ' HIS . 0.1 OUTLIER -66.03 -19.62 25.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.116 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.592 ' N ' HD13 ' A' ' 58' ' ' ILE . 51.4 m-70 -76.56 49.29 0.6 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.842 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 4.0 t -151.48 -176.36 5.56 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.84 -179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -55.89 166.66 0.7 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.833 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -82.53 157.34 23.58 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.925 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.416 ' HG2' ' C ' ' A' ' 74' ' ' SER . 3.9 mpt_? -106.3 152.66 40.58 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.591 0.71 . . . . 0.0 110.897 -179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -22.22 32.3 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.737 2.291 . . . . 0.0 112.33 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 27.3 m-85 -101.46 152.14 21.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 25.6 mttm -146.69 149.45 33.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.869 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 40.0 t -94.15 151.81 19.21 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -77.3 -62.43 1.66 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.884 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.785 ' H ' HD12 ' A' ' 69' ' ' ILE . 4.9 mp -51.69 -73.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.125 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.0 p -95.1 152.56 39.57 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.638 0.732 . . . . 0.0 110.86 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 3.74 2.6 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.678 2.252 . . . . 0.0 112.382 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.496 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 86.2 t80 -45.66 167.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.914 -179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.496 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.72 145.95 9.51 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.114 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.416 ' C ' ' HG2' ' A' ' 63' ' ' ARG . 45.5 t -143.31 150.84 39.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.813 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . 0.406 ' CG ' ' HG3' ' A' ' 63' ' ' ARG . 57.8 mtm180 -86.73 41.74 0.97 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.862 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 12.5 m120 -162.44 161.1 27.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.895 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 34.7 p -91.95 -48.85 6.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.854 -179.844 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 2.6 m -59.1 -56.45 22.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.821 -179.795 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 16.0 mt-30 -43.42 -44.65 5.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 6.1 tp -64.49 -45.76 85.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.934 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 76.7 m -44.56 -53.58 6.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.142 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 76.9 t -66.63 -45.26 88.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.135 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.8 t60 -46.26 -41.36 12.92 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.881 179.913 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.403 ' O ' ' C ' ' A' ' 85' ' ' ARG . 13.0 mt -63.53 -39.59 94.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.925 -179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.403 ' C ' ' O ' ' A' ' 84' ' ' LEU . 15.6 mmt85 -37.31 -49.04 0.94 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 39.5 m -48.44 -51.18 28.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.844 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.438 ' CD2' HD13 ' A' ' 69' ' ' ILE . 47.5 m-70 -55.14 -66.97 0.31 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.832 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 75.0 p -55.47 141.83 35.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.137 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 158.03 120.67 0.62 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.504 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -108.47 42.08 1.46 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.802 0.334 . . . . 0.0 110.837 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 57.1 p -96.35 122.97 39.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.847 -179.812 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 64.31 -169.7 22.98 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.457 179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 159.92 51.65 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.658 2.239 . . . . 0.0 112.353 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.0 t -92.65 143.66 26.1 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 13.9 t -61.92 118.83 7.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 CA-C-O 119.125 -0.819 . . . . 0.0 112.462 -179.912 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.367 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 70.3 p -162.93 149.15 12.32 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.89 0.376 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 2.4 m -156.3 175.22 14.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.85 -179.803 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -146.17 96.08 0.18 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.451 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 61.0 p -123.1 -49.01 1.97 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.833 0.349 . . . . 0.0 110.848 -179.76 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 47.1 m -50.39 135.59 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.874 -179.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.48 161.06 19.17 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.507 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.78 125.5 12.21 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.664 2.243 . . . . 0.0 112.316 -179.897 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -127.14 115.03 18.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.876 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' O ' ' O ' ' A' ' 11' ' ' CYS . 1.2 mppt? -129.9 156.07 45.01 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.902 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.425 ' O ' ' O ' ' A' ' 10' ' ' LYS . 1.8 t -45.02 172.31 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -115.45 1.63 13.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.832 HG21 ' CD2' ' A' ' 31' ' ' HIS . 16.0 m -122.58 -35.92 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.127 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.465 ' O ' ' C ' ' A' ' 15' ' ' GLY . 18.7 p -126.61 16.08 7.57 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.864 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.465 ' C ' ' O ' ' A' ' 14' ' ' CYS . . . 32.63 68.1 0.17 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.441 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 42.0 tttp -108.46 135.64 49.42 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.795 0.331 . . . . 0.0 110.889 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 18.3 p -77.96 153.43 32.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.867 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 94.2 m-85 -146.39 165.18 30.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.885 -179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 70.9 m -82.08 -47.39 12.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.876 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 12.4 ptm180 -131.81 162.21 31.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.862 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 24.7 pttt -66.37 -33.44 75.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -57.83 -39.67 78.22 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.842 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 11.8 mmtt -59.64 -54.33 47.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.8 tp -56.21 -41.45 75.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.94 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 39.0 tttm -42.4 -49.13 5.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.909 179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 93.2 m -79.84 -35.77 37.76 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.135 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 26.2 t60 -42.31 -44.69 3.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 10.0 mmt -43.9 -39.46 3.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.427 ' C ' ' O ' ' A' ' 28' ' ' MET . 43.7 mtp85 -33.78 -53.49 0.44 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.872 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 50.3 m -44.84 -72.78 0.05 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.832 ' CD2' HG21 ' A' ' 13' ' ' VAL . 21.1 m-70 -53.32 172.86 0.05 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.882 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 71.9 p -81.72 178.3 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.118 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -151.05 -110.53 0.49 Allowed Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.5 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.495 ' N ' ' HE3' ' A' ' 35' ' ' LYS . 5.3 m -111.52 82.94 0.65 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-O 120.905 0.383 . . . . 0.0 111.129 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.575 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER -118.51 76.81 13.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.599 0.714 . . . . 0.0 110.903 179.895 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -39.52 6.48 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.678 2.252 . . . . 0.0 112.34 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.725 ' HB3' HD22 ' A' ' 52' ' ' LEU . 24.6 m-85 -64.19 97.59 0.19 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.915 -179.889 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 8.7 mtmp? -125.15 135.83 53.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.897 179.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -60.81 137.79 58.17 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.844 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.447 ' HG3' ' N ' ' A' ' 41' ' ' THR . 15.8 ptpt -63.35 -43.17 98.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.932 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.447 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 94.3 m -86.74 -63.05 1.37 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 4.0 m -67.88 177.0 2.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.896 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 -122.01 41.77 3.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 25.4 t80 -96.47 148.36 22.88 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.918 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.575 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -114.94 132.14 56.66 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.101 179.841 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -110.22 153.19 25.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.09 179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -88.2 -53.0 4.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.085 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -115.66 156.66 25.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.829 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 28.6 t -46.22 -35.26 5.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 89.3 p -67.78 -46.24 72.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 4.0 m -46.88 -43.24 18.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.725 HD22 ' HB3' ' A' ' 37' ' ' TYR . 20.9 tp -74.07 -47.87 33.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.897 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.611 ' HA ' HD12 ' A' ' 56' ' ' LEU . 16.2 m-20 -42.28 -45.84 4.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.87 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.49 -43.47 96.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 56.8 t60 -66.41 -30.28 70.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.866 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.611 HD12 ' HA ' ' A' ' 53' ' ' ASN . 80.0 mt -67.42 -16.4 64.21 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.937 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 93.5 mtt-85 -66.78 -55.54 14.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.436 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -39.25 -37.77 0.32 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.147 179.961 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.424 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 91.8 m-70 -75.31 73.0 2.39 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.85 179.899 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 72.7 m -117.14 166.32 12.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 28.6 m-20 -64.15 158.73 22.18 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -45.38 169.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.854 -179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -128.53 75.31 79.59 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.67 0.748 . . . . 0.0 110.886 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -26.02 27.86 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.63 2.22 . . . . 0.0 112.369 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.416 ' C ' ' HD2' ' A' ' 66' ' ' LYS . 56.9 m-85 -102.57 151.31 22.48 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.862 -179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.416 ' HD2' ' C ' ' A' ' 65' ' ' PHE . 0.0 OUTLIER -145.98 156.5 43.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.896 179.94 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 43.6 t -97.32 141.95 29.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.874 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 68.9 mt-30 -71.54 -66.39 0.63 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.898 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.5 mt -43.92 -66.23 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.127 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 21.9 p -104.38 153.14 39.28 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.58 0.705 . . . . 0.0 110.911 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . 0.41 ' O ' ' O ' ' A' ' 72' ' ' TYR . 53.9 Cg_endo -69.77 5.51 1.67 Allowed 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.717 2.278 . . . . 0.0 112.294 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.571 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 63.5 t80 -43.74 168.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.571 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.16 149.11 24.15 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.081 -0.509 . . . . 0.0 111.084 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 5.4 p -137.66 166.29 24.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.7 ptp180 -85.43 -43.42 13.63 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.889 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 17.0 p30 -116.73 -174.81 2.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.906 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.421 ' O ' ' C ' ' A' ' 78' ' ' SER . 49.6 m -79.42 -53.98 6.38 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.838 -179.86 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.427 ' O ' ' N ' ' A' ' 81' ' ' THR . 5.0 t -37.04 -58.83 0.76 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.884 -179.755 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 14.9 mm-40 -43.59 -41.27 4.48 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.891 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.406 ' N ' ' O ' ' A' ' 77' ' ' SER . 21.2 tp -66.68 -32.68 74.16 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.427 ' N ' ' O ' ' A' ' 78' ' ' SER . 41.2 m -66.41 -47.19 74.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.2 t -69.69 -35.48 65.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.116 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.4 t60 -72.05 -46.16 58.06 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.849 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 12.2 mt -53.17 -56.95 12.34 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.924 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 12.5 ptt180 -48.62 -30.48 5.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.897 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 7.9 t -55.06 -38.7 68.37 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.856 -179.806 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 80.6 m-70 -59.76 87.26 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.91 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 41.4 p -122.44 132.96 54.6 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.124 -179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 145.75 -165.81 27.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.45 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -119.61 92.11 3.71 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 19.3 m -144.66 123.05 12.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.82 -179.765 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -159.06 148.48 17.48 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 170.58 16.29 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.635 2.224 . . . . 0.0 112.339 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 96.8 p -100.3 41.71 1.15 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 12.2 t -171.41 139.18 1.26 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.823 -179.835 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 CA-C-O 119.164 -0.798 . . . . 0.0 112.48 -179.964 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.8 m -152.49 176.08 12.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.915 0.388 . . . . 0.0 110.825 -179.721 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.4 t -153.0 174.66 13.87 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.823 -179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.13 -158.31 7.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 81.0 p -167.99 172.05 9.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.864 0.364 . . . . 0.0 110.873 -179.785 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 24.0 p -154.41 177.75 10.81 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.862 -179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -176.07 89.23 0.08 OUTLIER Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.48 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 -169.13 0.31 Allowed 'Trans proline' 0 C--N 1.342 0.214 0 C-N-CA 122.662 2.241 . . . . 0.0 112.344 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.467 ' CD2' ' HD2' ' A' ' 21' ' ' LYS . 61.5 m-70 -100.5 141.45 33.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -132.95 127.91 35.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.892 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.436 ' SG ' HG22 ' A' ' 13' ' ' VAL . 2.0 t -61.8 162.47 8.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.91 179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 8.0 pt-20 -126.46 -19.35 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.873 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.436 HG22 ' SG ' ' A' ' 11' ' ' CYS . 1.8 m -79.95 -36.13 16.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.107 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 15.9 p -124.79 -40.56 2.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 95.82 50.89 1.88 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.475 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.558 ' O ' ' CE2' ' A' ' 18' ' ' PHE . 10.3 tptp -103.98 135.75 44.91 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.737 0.304 . . . . 0.0 110.879 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.6 p -76.14 153.17 36.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.874 179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.558 ' CE2' ' O ' ' A' ' 16' ' ' LYS . 12.6 m-85 -143.65 173.75 11.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.867 -179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.406 ' CB ' ' HD2' ' A' ' 20' ' ' ARG . 12.2 t -111.59 -40.54 4.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.905 -179.798 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.406 ' HD2' ' CB ' ' A' ' 19' ' ' SER . 0.4 OUTLIER -132.14 179.84 5.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.891 -179.965 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.467 ' HD2' ' CD2' ' A' ' 9' ' ' HIS . 17.7 tptm -76.16 -41.65 49.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.888 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.403 ' OD1' ' N ' ' A' ' 23' ' ' LYS . 1.9 p30 -46.36 -44.02 16.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.897 179.841 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' N ' ' OD1' ' A' ' 22' ' ' ASP . 26.1 mttt -56.42 -45.37 80.74 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.883 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.654 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.6 OUTLIER -65.9 -50.87 62.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.939 179.903 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.449 ' C ' ' O ' ' A' ' 24' ' ' LEU . 19.0 ttpt -33.99 -54.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.881 179.844 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.445 ' O ' ' N ' ' A' ' 29' ' ' ARG . 19.1 m -78.99 -39.86 33.12 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.165 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.406 ' C ' ' O ' ' A' ' 26' ' ' THR . 81.0 t60 -38.05 -36.43 0.21 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.867 179.889 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.427 ' O ' ' C ' ' A' ' 29' ' ' ARG . 14.1 mmt -66.59 -46.04 77.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.857 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.445 ' N ' ' O ' ' A' ' 26' ' ' THR . 46.3 mtp180 -36.25 -50.46 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.828 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.2 t -57.19 -60.34 3.76 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.882 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.429 ' CD2' HG21 ' A' ' 13' ' ' VAL . 45.3 m-70 -45.53 112.16 0.42 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.81 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 11.2 t -156.75 133.28 10.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.158 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 178.88 139.89 3.74 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.518 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 33.4 m -82.53 42.41 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.909 0.385 . . . . 0.0 111.118 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -125.64 84.35 60.62 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.564 0.697 . . . . 0.0 110.862 179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 2.2 3.74 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.334 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 68.8 m-85 -117.92 91.5 3.59 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.938 -179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 12.4 mtpp -127.65 147.56 50.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.89 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 1.8 t -65.7 154.64 38.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.894 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 17.8 mmtp -74.62 -56.04 5.24 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.914 179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.547 HG23 ' N ' ' A' ' 42' ' ' CYS . 11.0 t -80.7 -48.19 12.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.169 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.547 ' N ' HG23 ' A' ' 41' ' ' THR . 3.8 m -75.49 165.8 24.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.0 t70 -110.58 33.06 4.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.894 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 24.8 t80 -86.58 150.38 24.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.956 -179.818 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -119.91 140.45 50.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.439 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -118.29 135.83 54.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.083 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -68.65 -34.47 75.77 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.069 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 31.5 t70 -142.38 171.09 14.53 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.884 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.425 ' O ' ' C ' ' A' ' 50' ' ' SER . 58.1 p -51.75 -68.91 0.13 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.838 -179.761 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 49' ' ' SER . 58.2 p -36.19 -58.71 0.66 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.837 -179.777 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.439 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 12.3 t -40.31 -50.42 2.78 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.841 -179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 9.3 tp -67.98 -44.54 76.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.928 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 18.0 m-80 -52.08 -29.12 20.04 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.926 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 27.2 ttpt -79.83 -26.33 40.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.85 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 81.4 t60 -68.86 -35.71 77.25 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.865 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 40.3 mt -62.27 -30.92 71.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.894 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 17.4 mtm180 -65.86 -51.57 57.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.851 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.461 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -42.38 -28.58 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.143 179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.44 ' N ' HG13 ' A' ' 58' ' ' ILE . 15.8 m-70 -69.82 173.16 6.59 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.459 ' O ' ' C ' ' A' ' 61' ' ' ASP . 1.5 t -90.89 -46.16 8.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.851 -179.779 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.459 ' C ' ' O ' ' A' ' 60' ' ' SER . 3.7 p30 -33.1 115.1 0.19 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.83 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 14.7 tt0 -71.3 -29.07 64.6 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.915 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.436 ' N ' ' CD ' ' A' ' 64' ' ' PRO . 37.2 mtp180 58.04 54.96 6.4 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.563 0.697 . . . . 0.0 110.836 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.436 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 54.3 Cg_endo -69.77 -19.36 36.16 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.66 2.24 . . . . 0.0 112.378 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -84.52 137.86 33.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . 0.429 ' HD3' ' HB2' ' A' ' 73' ' ' ALA . 41.9 mmtt -132.32 157.66 43.89 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.891 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 6.5 t -99.56 149.9 22.78 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.9 mm100 -70.59 -57.78 4.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.869 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 3.4 mp -55.62 -64.49 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.123 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 30.2 p -107.82 153.22 41.7 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.63 0.729 . . . . 0.0 110.896 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 4.24 2.31 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.671 2.247 . . . . 0.0 112.287 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.55 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 66.9 t80 -43.67 167.88 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.897 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.55 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.86 149.51 21.74 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.123 179.837 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 86.8 p -146.29 132.17 19.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.858 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 2.7 tmt_? -54.21 -57.13 12.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.885 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.614 HD22 ' N ' ' A' ' 77' ' ' SER . 0.2 OUTLIER -79.55 146.99 32.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 179.993 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.614 ' N ' HD22 ' A' ' 76' ' ' ASN . 30.3 t -63.6 -62.45 1.66 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.869 -179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.458 ' C ' ' O ' ' A' ' 77' ' ' SER . 2.9 m -33.91 -55.19 0.48 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.875 -179.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 7.7 mm100 -38.56 -56.2 1.32 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.889 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 20.7 tp -61.07 -42.81 99.2 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 58.7 m -52.09 -49.6 63.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 89.4 t -72.73 -48.01 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.161 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -43.89 -42.55 5.85 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.885 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.434 ' O ' ' C ' ' A' ' 85' ' ' ARG . 36.4 mt -50.28 -54.48 21.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.434 ' C ' ' O ' ' A' ' 84' ' ' LEU . 41.2 mtt-85 -35.71 -44.51 0.33 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.845 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 9.8 t -45.02 -47.92 11.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.815 -179.729 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 87.9 m-70 -65.0 85.06 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.811 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 7.7 t -145.81 135.36 23.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.121 -179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 166.72 92.76 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.521 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -127.17 114.44 17.69 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.773 0.32 . . . . 0.0 110.867 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 47.4 m -71.98 121.58 19.38 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.867 -179.783 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 100.6 124.29 5.3 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.463 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -10.79 29.49 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.693 2.262 . . . . 0.0 112.373 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 75.1 p -75.44 161.64 29.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.813 -179.822 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 43.1 m -114.45 -44.97 3.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.831 -179.825 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 CA-C-O 119.108 -0.829 . . . . 0.0 112.5 -179.949 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.304 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 60.3 m -93.91 -58.74 2.16 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.909 0.385 . . . . 0.0 110.871 -179.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.2 t 71.97 41.54 0.66 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.874 -179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.73 75.51 0.27 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.524 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -70.1 -54.55 12.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.885 0.374 . . . . 0.0 110.906 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 p -174.5 175.31 2.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -131.12 -156.62 8.57 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.488 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 145.46 57.01 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.698 2.265 . . . . 0.0 112.364 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -116.4 91.01 3.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.898 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 54.9 tttt -121.87 109.08 14.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.917 -179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -47.39 168.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.902 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -125.52 -50.71 1.63 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.859 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.873 HG21 ' CG ' ' A' ' 31' ' ' HIS . 4.4 m -45.94 -43.67 4.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.137 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 25.3 p -108.21 -39.22 5.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.886 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 91.87 53.77 2.02 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.466 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.2 tttp -107.79 172.27 6.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 0.0 110.854 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 4.6 t -119.56 123.78 44.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 69.0 m-85 -132.44 124.81 29.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.894 -179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.7 t -99.55 36.58 1.74 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.855 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.3 ptm180 -168.2 131.6 1.57 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.896 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.401 ' HD3' ' C ' ' A' ' 21' ' ' LYS . 0.0 OUTLIER -68.6 -18.89 64.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.875 -179.981 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t0 -66.43 -37.75 85.88 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.839 179.876 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 9.2 mtpt -80.14 -38.4 31.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.885 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.581 HD13 ' O ' ' A' ' 24' ' ' LEU . 0.7 OUTLIER -67.56 -37.93 83.39 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.951 179.937 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 24.8 mtpt -47.0 -59.22 3.26 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.9 179.781 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.472 ' O ' ' N ' ' A' ' 29' ' ' ARG . 10.8 m -74.49 -42.24 59.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.156 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 84.4 t60 -42.32 -25.89 0.09 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.877 179.882 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 12.8 mmt -78.73 -37.95 40.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.835 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' O ' ' A' ' 26' ' ' THR . 50.7 mtt180 -40.99 -34.42 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 10.0 t -75.79 -55.25 5.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.911 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.873 ' CG ' HG21 ' A' ' 13' ' ' VAL . 35.6 m-70 -65.1 -59.15 4.44 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.839 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.452 ' C ' ' O ' ' A' ' 31' ' ' HIS . 86.8 m -33.43 141.49 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.135 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 121.61 47.58 0.29 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.503 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.402 ' O ' ' HD3' ' A' ' 36' ' ' PRO . 5.4 m -59.72 -174.98 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.889 0.376 . . . . 0.0 111.128 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.438 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 48.5 mttt -97.74 102.29 12.87 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.547 0.689 . . . . 0.0 110.936 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.438 ' HD2' ' HA ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 -50.37 0.47 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.655 2.237 . . . . 0.0 112.349 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.458 ' CE2' ' N ' ' A' ' 49' ' ' SER . 30.1 m-85 -47.58 102.52 0.03 OUTLIER 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.915 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 1.2 mmmp? -113.86 115.61 28.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 18.0 t -53.02 138.13 31.37 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.867 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.3 mtmt -64.27 -65.87 0.62 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.89 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.552 HG23 ' H ' ' A' ' 42' ' ' CYS . 2.1 t -58.05 -54.52 46.03 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.157 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.552 ' H ' HG23 ' A' ' 41' ' ' THR . 6.6 m -86.02 -175.47 5.57 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -118.41 1.11 11.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.87 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.501 ' CZ ' ' O ' ' A' ' 45' ' ' ALA . 28.2 t80 -62.06 154.57 26.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.782 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.501 ' O ' ' CZ ' ' A' ' 44' ' ' TYR . . . -124.17 149.78 45.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.117 -0.492 . . . . 0.0 111.087 179.857 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.668 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -124.07 141.08 52.36 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.095 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -67.51 -65.89 0.63 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.08 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 4.2 m-20 -104.83 157.75 16.99 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.855 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.458 ' N ' ' CE2' ' A' ' 37' ' ' TYR . 96.6 p -47.16 -28.15 1.71 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.847 -179.775 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 79.5 p -70.01 -46.76 64.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.821 -179.789 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.668 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 1.8 m -48.08 -42.17 28.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.826 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.449 ' O ' ' N ' ' A' ' 55' ' ' HIS . 8.3 tp -78.89 -47.44 16.49 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.913 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 3.5 m120 -44.93 -27.51 0.54 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.859 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 39.4 ttmt -84.32 -32.19 24.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.901 179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.449 ' N ' ' O ' ' A' ' 52' ' ' LEU . 77.0 t60 -66.79 -60.09 2.98 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.857 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.413 ' C ' ' O ' ' A' ' 55' ' ' HIS . 56.8 mt -36.56 -43.92 0.42 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.915 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 37.9 mtp180 -51.04 -47.94 61.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.432 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 4.7 tt -40.32 -38.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.125 179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.432 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 13.2 m-70 -79.02 -43.92 23.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.887 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 71.8 p -100.9 39.55 1.38 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.833 -179.775 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 33.6 p30 -87.31 53.54 2.84 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.897 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.9 mm-40 -133.29 39.62 3.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.877 -179.861 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -130.55 120.04 18.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.617 0.722 . . . . 0.0 110.856 -179.887 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -46.02 1.39 Allowed 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.693 2.262 . . . . 0.0 112.343 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 70.7 m-85 -86.44 143.26 27.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 32.3 mttm -141.3 155.27 45.99 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.877 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 25.2 t -93.39 148.62 21.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -77.2 -63.52 1.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.892 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 16.1 mt -47.78 -64.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.126 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 21.7 p -102.7 152.73 38.47 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.633 0.73 . . . . 0.0 110.878 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 3.04 3.01 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.659 2.239 . . . . 0.0 112.297 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -46.04 161.21 0.05 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.944 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . . . . . . . . . . . -152.32 145.32 24.49 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.1 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 80.1 p -142.44 159.76 41.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.837 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 39.7 mtm-85 -90.0 -52.54 4.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.874 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.9 t-20 -73.21 172.14 11.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 3.1 m -91.38 -45.05 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 -179.852 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.428 ' O ' ' N ' ' A' ' 81' ' ' THR . 22.8 t -58.62 -56.04 27.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.866 -179.828 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.409 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.5 mt-30 -37.56 -47.49 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.914 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 46.9 tp -62.04 -43.24 99.27 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.902 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.428 ' N ' ' O ' ' A' ' 78' ' ' SER . 92.8 m -54.7 -54.24 44.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.16 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 99.3 t -60.95 -39.33 81.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.117 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -55.89 -55.85 27.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.853 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 50.2 mt -38.18 -41.97 0.64 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.922 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 49.8 mtm180 -42.37 -46.45 4.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.867 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.2 t -40.94 -47.74 3.04 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.831 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 69.2 m-70 -66.17 79.2 0.09 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.849 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 13.3 t -136.63 142.28 43.26 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.06 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 126.37 105.18 1.42 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 12.4 t70 -54.91 -46.83 74.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.347 . . . . 0.0 110.884 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 38.2 m 60.66 42.71 13.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -97.1 147.93 18.83 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.472 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 90.31 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.641 2.227 . . . . 0.0 112.364 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 2.9 t 63.61 41.47 7.17 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.849 -179.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 94.6 p -93.36 150.68 20.29 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.914 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 CA-C-O 119.167 -0.796 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.476 -0.25 . . . . 0.0 112.476 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.1 t -171.46 173.57 4.72 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.846 0.355 . . . . 0.0 110.854 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.5 p -161.43 178.15 9.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -139.3 166.21 25.55 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.487 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.1 p -169.07 171.49 8.14 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.897 0.38 . . . . 0.0 110.883 -179.746 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.9 m -132.17 152.45 51.27 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.83 -179.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -125.9 110.08 1.25 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.475 -179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 162.32 42.55 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.713 2.275 . . . . 0.0 112.34 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.457 ' CD2' ' CB ' ' A' ' 21' ' ' LYS . 5.5 m170 -92.63 146.96 23.26 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.846 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 41.2 tttm -118.99 119.92 35.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . 0.459 ' SG ' HG22 ' A' ' 13' ' ' VAL . 1.9 t -51.14 170.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.863 179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -129.34 -25.82 2.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.868 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.498 HG21 ' CD2' ' A' ' 31' ' ' HIS . 2.6 m -73.72 -39.9 53.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.164 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . 0.407 ' SG ' ' N ' ' A' ' 15' ' ' GLY . 20.5 p -120.91 -45.96 2.36 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.933 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . 0.407 ' N ' ' SG ' ' A' ' 14' ' ' CYS . . . 104.68 57.06 0.7 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.494 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 12.8 tptt -106.52 153.15 22.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.789 0.328 . . . . 0.0 110.904 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 26.7 p -105.18 143.66 33.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.891 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 16' ' ' LYS . 34.7 m-85 -139.08 169.4 17.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.841 -179.843 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 8.5 t -88.59 -48.08 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.797 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 7.8 mtt-85 -99.16 139.33 34.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.906 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.457 ' CB ' ' CD2' ' A' ' 9' ' ' HIS . 52.4 pttt -66.02 -21.15 66.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.892 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . 0.413 ' O ' ' N ' ' A' ' 25' ' ' LYS . 23.1 t70 -73.05 -49.12 30.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.834 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 27.4 mmmt -38.96 -36.67 0.3 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.867 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 7.8 tp -56.57 -44.95 81.49 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.929 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.413 ' N ' ' O ' ' A' ' 22' ' ' ASP . 19.0 mtpt -49.96 -58.45 5.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.904 179.814 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 20.0 m -70.6 -28.28 64.74 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.125 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 32.6 t60 -55.14 -26.74 40.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 2.1 mtt -73.95 -19.13 60.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 55.8 mtp85 -60.64 -22.87 64.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.876 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 17.5 t -102.36 20.51 16.76 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.498 ' CD2' HG21 ' A' ' 13' ' ' VAL . 15.1 m-70 -116.8 86.49 2.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.825 -179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 10.8 m -164.97 126.72 2.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.143 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . 161.33 143.98 3.84 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.508 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 35.4 m -149.1 138.9 16.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.919 0.39 . . . . 0.0 111.113 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 17.7 mmtp -140.18 140.32 23.27 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.61 0.719 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -28.04 25.7 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.67 2.247 . . . . 0.0 112.318 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.562 ' HB3' HD22 ' A' ' 52' ' ' LEU . 52.5 m-85 -82.46 95.42 7.69 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.94 -179.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 62.5 mttm -128.57 136.7 51.09 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.865 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 2.9 t -61.99 130.74 47.01 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.859 179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.472 ' HG3' ' N ' ' A' ' 41' ' ' THR . 16.4 pttp -57.26 -43.96 83.5 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.848 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.472 ' N ' ' HG3' ' A' ' 40' ' ' LYS . 34.8 m -86.49 -57.45 3.0 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 5.9 m -79.0 176.27 9.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.882 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -116.18 38.81 3.26 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -90.69 132.06 36.01 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.952 -179.817 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -103.89 125.97 50.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -113.45 139.66 48.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.068 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -74.34 -61.56 1.82 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 21.4 t70 -91.85 166.32 12.8 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.908 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 79.0 p -67.79 -51.03 53.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.844 -179.763 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.0 m -51.0 -53.02 37.04 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.806 -179.783 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.7 t -41.79 -46.84 4.0 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.562 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.9 tp -71.47 -44.75 64.17 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.93 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 33.4 m-20 -44.25 -47.69 9.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 3.4 tmmm? -56.33 -33.26 65.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.917 179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.427 ' O ' HG23 ' A' ' 58' ' ' ILE . 66.7 t60 -67.07 -59.74 3.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.865 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 32.8 mt -44.49 -22.18 0.07 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.908 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 9.9 mtm180 -71.97 -45.81 59.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.448 HG23 ' H ' ' A' ' 58' ' ' ILE . 0.9 OUTLIER -53.33 -34.8 23.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.109 179.956 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 89.6 m-70 -66.88 82.95 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.887 179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 51.2 m -83.03 -65.6 0.99 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.819 -179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 4.6 p-10 -143.79 164.08 31.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.861 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -84.88 156.61 21.19 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.431 ' HA ' ' HD2' ' A' ' 64' ' ' PRO . 41.7 mtt180 -123.38 109.96 30.78 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.573 0.701 . . . . 0.0 110.904 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.75 -36.69 10.36 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.673 2.249 . . . . 0.0 112.345 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 -76.01 136.81 39.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.861 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 30.6 mmtp -140.36 129.59 23.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 45.8 t -74.98 133.82 41.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.806 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 51.9 mt-30 -65.75 -55.43 17.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.9 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.442 HD13 ' CB ' ' A' ' 87' ' ' HIS . 16.7 mt -54.08 -66.6 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.142 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 23.2 p -102.09 152.41 38.22 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.626 0.726 . . . . 0.0 110.884 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.81 6.97 1.12 Allowed 'Trans proline' 0 C--N 1.342 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.36 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.535 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.2 t80 -46.79 168.74 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.918 -179.924 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.535 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -157.55 146.65 19.79 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.09 -0.504 . . . . 0.0 111.095 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 10.8 t -147.49 151.73 36.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.87 -179.781 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 17.1 tpt180 -83.72 -45.95 12.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.86 -179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 45.4 m-20 -84.54 175.51 9.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -93.7 -55.91 3.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 -179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 11.2 t -44.96 -55.68 5.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.83 -179.788 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.4 mm100 -39.63 -46.9 1.89 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.965 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.7 tp -67.12 -42.97 83.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.921 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 87.4 m -48.54 -47.38 39.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.111 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 97.7 t -75.02 -38.49 42.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.145 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -53.94 -39.7 66.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.871 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 24.0 mt -58.59 -23.83 59.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.937 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 2.0 mmp_? -61.32 -10.53 7.28 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.9 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 24.9 m -81.27 -26.75 35.51 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.894 -179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.442 ' CB ' HD13 ' A' ' 69' ' ' ILE . 6.2 m-70 -103.59 36.32 2.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.844 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 12.6 t -171.52 136.05 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 93.81 49.86 2.42 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.481 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -119.12 86.66 2.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.826 0.346 . . . . 0.0 110.903 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 96.5 p -155.46 125.18 6.46 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.775 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -174.5 -97.33 0.11 Allowed Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.477 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 146.85 61.56 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.696 2.264 . . . . 0.0 112.34 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 28.8 m -64.43 112.99 3.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.832 -179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.9 m -100.14 168.16 9.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.818 -179.785 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 CA-C-O 119.098 -0.834 . . . . 0.0 112.524 179.991 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.264 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -40.38 -52.75 2.7 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.92 0.39 . . . . 0.0 110.877 -179.768 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.9 p -153.62 117.87 4.86 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.807 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -61.62 149.61 46.08 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 52.5 m -94.83 149.51 21.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.843 0.354 . . . . 0.0 110.874 -179.748 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.0 t -87.61 -54.47 4.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.87 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 114.62 80.98 0.95 Allowed Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.485 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 54.5 Cg_endo -69.7 -177.02 1.66 Allowed 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.688 2.259 . . . . 0.0 112.365 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 58.1 m-70 -123.71 121.76 36.33 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.898 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -131.51 137.99 48.77 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.903 -179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -51.21 176.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.886 179.898 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -133.72 -37.96 0.91 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.418 HG22 ' H ' ' A' ' 13' ' ' VAL . 2.1 m -65.84 -38.89 83.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.128 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 21.3 p -111.26 -35.94 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.833 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 87.76 42.36 6.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.496 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 65.0 tttt -98.34 136.04 39.09 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.776 0.322 . . . . 0.0 110.903 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.97 152.51 21.67 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.86 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 95.8 m-85 -143.18 174.78 10.4 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.901 -179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 3.9 m -90.6 -47.39 7.71 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 51.9 mtt180 -119.45 149.5 41.77 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.845 -179.922 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -61.49 -20.19 62.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.911 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -63.07 -48.67 77.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.461 ' O ' ' CB ' ' A' ' 27' ' ' HIS . 9.5 mmpt? -54.09 -35.57 62.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 3.6 tp -64.07 -47.98 77.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.899 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 23.3 mtpt -49.99 -61.8 1.94 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 179.826 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 91.4 m -68.66 -35.18 76.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.143 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.461 ' CB ' ' O ' ' A' ' 23' ' ' LYS . 9.2 t60 -46.31 -46.59 18.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 3.5 mtp -44.93 -30.52 1.03 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.2 mtp180 -39.1 -47.36 1.54 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.571 ' HG ' ' CE1' ' A' ' 31' ' ' HIS . 24.5 p -51.99 -44.23 63.97 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.908 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.571 ' CE1' ' HG ' ' A' ' 30' ' ' CYS . 17.4 m-70 -75.67 169.79 17.43 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.814 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 55.1 m -149.93 119.22 6.82 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.124 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.69 78.95 1.89 Allowed Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.502 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 31.6 m -70.14 -36.66 68.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.867 0.365 . . . . 0.0 111.137 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.42 ' HA ' ' HD2' ' A' ' 36' ' ' PRO . 0.0 OUTLIER -44.47 108.92 0.78 Allowed Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.608 0.718 . . . . 0.0 110.892 179.9 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.42 ' HD2' ' HA ' ' A' ' 35' ' ' LYS . 53.8 Cg_endo -69.77 -48.63 0.68 Allowed 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.695 2.263 . . . . 0.0 112.343 179.904 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.548 ' HB3' HD22 ' A' ' 52' ' ' LEU . 95.4 m-85 -56.62 91.51 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.986 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 28.3 mtpt -125.69 144.14 50.74 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.904 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 4.3 t -64.5 152.87 40.65 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 28.5 mmtt -72.6 -31.24 65.04 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.892 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.499 HG23 ' N ' ' A' ' 42' ' ' CYS . 4.7 t -109.67 -49.03 3.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.128 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.499 ' N ' HG23 ' A' ' 41' ' ' THR . 14.4 m -76.16 163.42 27.09 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.858 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -101.73 28.65 5.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.859 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.408 ' CE2' ' HB2' ' A' ' 46' ' ' ALA . 74.8 t80 -70.74 154.68 41.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.884 -179.859 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . . . . . . . . . . . -131.41 151.87 51.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.129 179.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.408 ' HB2' ' CE2' ' A' ' 44' ' ' TYR . . . -153.44 141.81 20.64 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.131 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -82.66 -46.29 13.44 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 34.8 m-20 -101.12 166.77 10.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.879 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 32.7 t -65.08 -62.18 1.7 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.891 -179.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.8 m -45.63 -47.25 14.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.839 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 3.7 m -45.37 -37.8 5.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.829 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 37' ' ' TYR . 15.1 tp -81.43 -46.1 15.08 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.91 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . 0.486 ' HA ' HD12 ' A' ' 56' ' ' LEU . 3.8 m120 -45.07 -27.51 0.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.91 179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.7 -41.15 68.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.933 179.876 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 83.2 t60 -65.0 -44.64 88.59 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.904 179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . 0.486 HD12 ' HA ' ' A' ' 53' ' ' ASN . 62.5 mt -50.07 -48.95 52.78 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.939 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.426 ' O ' ' C ' ' A' ' 58' ' ' ILE . 53.6 mtp180 -46.53 -44.98 18.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.478 ' CG2' ' N ' ' A' ' 59' ' ' HIS . 5.6 tt -35.38 -41.86 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.165 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.478 ' N ' ' CG2' ' A' ' 58' ' ' ILE . 26.1 m-70 -85.68 87.02 7.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.863 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 19.2 t -89.12 117.88 28.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -59.37 -43.39 92.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.103 -0.498 . . . . 0.0 110.837 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.441 ' O ' ' C ' ' A' ' 63' ' ' ARG . 7.7 tm-20 -48.36 122.89 5.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.888 -179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.441 ' C ' ' O ' ' A' ' 62' ' ' GLU . 13.9 ptt180 -34.53 97.82 0.13 Allowed Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.614 0.721 . . . . 0.0 110.895 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 63' ' ' ARG . 53.8 Cg_endo -69.8 -42.91 2.96 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.674 2.249 . . . . 0.0 112.356 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.684 ' HB3' HD22 ' A' ' 80' ' ' LEU . 53.6 m-85 -60.61 120.64 10.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.88 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 6.5 mtmp? -128.51 148.67 50.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.854 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.9 t -95.02 144.77 25.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.904 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 13.6 mp0 -76.64 -57.92 3.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.944 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 14.2 mt -49.23 -56.68 2.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.112 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 20.4 p -113.37 152.98 45.7 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.663 0.744 . . . . 0.0 110.904 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 3.92 2.5 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.712 2.275 . . . . 0.0 112.337 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.471 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 89.6 t80 -48.59 168.71 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.896 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.471 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -163.31 141.53 7.95 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.074 179.875 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.0 m -136.65 164.51 28.06 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.908 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 32.0 ttt180 -94.82 -45.55 7.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.919 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 19.5 t-20 -88.9 165.74 14.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 15.7 m -79.45 -46.85 16.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.822 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . . . . . . . . . 69.4 m -53.29 -41.94 66.1 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.873 -179.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.425 ' O ' HG12 ' A' ' 82' ' ' VAL . 57.8 mt-30 -58.03 -43.69 86.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.935 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.684 HD22 ' HB3' ' A' ' 65' ' ' PHE . 67.2 tp -72.07 -44.03 63.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.453 ' HA ' HD12 ' A' ' 84' ' ' LEU . 89.5 m -58.09 -48.54 79.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.425 HG12 ' O ' ' A' ' 79' ' ' GLN . 0.3 OUTLIER -61.96 -35.65 69.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.141 179.91 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.442 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.2 t60 -75.94 -29.04 58.19 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 179.923 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . 0.453 HD12 ' HA ' ' A' ' 81' ' ' THR . 10.8 mt -63.12 -64.67 0.84 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.891 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 7.0 ptm180 -42.83 -32.72 0.65 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.842 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.501 ' O ' ' N ' ' A' ' 88' ' ' THR . 17.7 t -54.28 -44.84 72.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.907 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 26.2 m-70 -59.33 77.47 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.832 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . 0.501 ' N ' ' O ' ' A' ' 86' ' ' SER . 15.3 t -160.42 152.45 20.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.156 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -176.58 -46.69 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.517 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 49.4 m-20 -121.21 141.87 50.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.838 0.351 . . . . 0.0 110.907 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 8.1 t -173.99 176.97 2.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.868 -179.787 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 170.19 145.52 4.74 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.475 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 110.5 2.57 Favored 'Trans proline' 0 C--N 1.342 0.216 0 C-N-CA 122.645 2.23 . . . . 0.0 112.346 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 76.5 p -149.39 173.93 13.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.871 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 8.6 t 67.2 43.81 2.0 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.86 -179.814 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 CA-C-O 119.103 -0.831 . . . . 0.0 112.511 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 35.0 t 58.14 47.02 15.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -179.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.5 m -48.97 -63.27 1.15 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 -179.853 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.1 175.22 36.25 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.479 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.8 t -172.52 169.0 5.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.895 0.379 . . . . 0.0 110.862 -179.747 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 25.7 p -96.64 175.82 6.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.8 81.61 0.16 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.498 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -164.36 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.687 2.258 . . . . 0.0 112.372 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -69.11 100.18 1.22 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.882 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.9 tptm -110.06 123.3 49.44 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.883 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 5.1 t -47.51 170.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.924 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -119.12 -48.81 2.42 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.457 HG21 ' CD2' ' A' ' 31' ' ' HIS . 0.9 OUTLIER -51.72 -40.63 27.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.158 179.937 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 28.4 p -119.15 -46.25 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 96.14 58.29 1.1 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.478 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 53.6 tttt -108.3 163.77 12.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.767 0.318 . . . . 0.0 110.892 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 73.6 m -94.48 143.5 26.36 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 59.4 m-85 -146.59 142.83 28.37 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.872 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m -89.15 -58.14 2.64 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.825 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 2.1 mpt_? -82.27 154.14 25.51 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.85 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 72.3 mttt -79.16 -52.37 8.26 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 13.5 p-10 -44.0 -42.47 6.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.871 179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 21.1 mmtp -44.28 -57.21 3.61 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.893 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.412 ' O ' ' C ' ' A' ' 25' ' ' LYS . 17.1 tp -42.19 -53.22 4.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.922 179.895 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.412 ' C ' ' O ' ' A' ' 24' ' ' LEU . 50.8 mtpt -36.91 -65.45 0.29 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 179.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.511 ' O ' ' N ' ' A' ' 29' ' ' ARG . 40.5 m -66.17 -44.93 82.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.431 . . . . 0.0 111.095 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.405 ' C ' ' O ' ' A' ' 26' ' ' THR . 43.1 t60 -37.24 -29.58 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.859 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.474 ' N ' ' O ' ' A' ' 26' ' ' THR . 1.6 mmt -75.16 -43.1 54.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.511 ' N ' ' O ' ' A' ' 26' ' ' THR . 18.1 mtm180 -42.02 -46.32 4.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.904 -179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.425 ' O ' ' C ' ' A' ' 31' ' ' HIS . 15.4 t -61.75 -54.99 34.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.901 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.457 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.8 m-70 -35.43 130.07 0.52 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.861 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . 0.71 ' HA ' ' HB3' ' A' ' 45' ' ' ALA . 15.3 t -162.62 155.54 19.63 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.155 -179.903 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.406 ' O ' ' N ' ' A' ' 35' ' ' LYS . . . 159.92 -156.86 28.11 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.486 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.569 ' O ' HG23 ' A' ' 34' ' ' VAL . 27.3 m -65.93 72.87 0.04 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.877 0.37 . . . . 0.0 111.103 -179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.632 ' HD3' ' HB1' ' A' ' 45' ' ' ALA . 0.4 OUTLIER -111.33 119.49 45.23 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.589 0.709 . . . . 0.0 110.919 179.892 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 -14.94 36.55 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.647 2.231 . . . . 0.0 112.348 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.819 ' HB3' HD22 ' A' ' 52' ' ' LEU . 26.1 m-85 -104.99 86.41 2.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.921 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.4 mtmp? -129.26 146.48 51.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.854 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -80.87 128.87 34.15 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.876 179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 2.2 mmmp? -57.25 -34.77 68.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.879 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . . . . . . . . . 85.1 m -87.08 -59.92 2.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.149 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . . . . . . . . . 1.9 m -70.92 -179.28 2.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.876 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.8 m-20 -128.91 39.52 3.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.846 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.446 ' CE1' ' O ' ' A' ' 45' ' ' ALA . 2.0 t80 -97.76 134.63 40.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.901 -179.802 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.71 ' HB3' ' HA ' ' A' ' 32' ' ' THR . . . -101.51 122.2 43.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.083 -0.508 . . . . 0.0 111.107 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . . . . . . . . . . . -109.2 124.49 50.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.087 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -95.99 35.46 1.41 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.134 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -172.92 164.58 5.05 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.879 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 46.6 t -74.68 -49.46 21.23 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.861 -179.762 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 69.3 p -62.24 -43.3 99.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.838 -179.806 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . . . . . . . . . 5.0 p -47.85 -49.23 30.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.866 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.819 HD22 ' HB3' ' A' ' 37' ' ' TYR . 18.4 tp -75.52 -44.81 41.71 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.938 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 68.2 m-20 -46.94 -46.27 21.29 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.9 ttpp -68.31 -21.9 64.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.932 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.456 ' O ' HG23 ' A' ' 58' ' ' ILE . 81.5 t60 -79.62 -56.4 4.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.908 179.868 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 87.5 mt -45.38 -22.0 0.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 65.5 mtp85 -61.62 -59.48 5.13 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.894 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.456 HG23 ' O ' ' A' ' 55' ' ' HIS . 1.0 OUTLIER -37.09 -35.35 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.165 179.935 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . . . . . . . . . 91.6 m-70 -68.26 -178.32 1.04 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.874 179.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 5.6 t 56.93 39.66 29.31 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.847 -179.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.419 ' O ' ' C ' ' A' ' 62' ' ' GLU . 11.2 p-10 -123.02 -53.27 1.85 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.879 179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 61' ' ' ASP . 8.0 tm-20 -36.73 154.96 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' HB2' ' HB1' ' A' ' 73' ' ' ALA . 0.0 OUTLIER -58.37 137.84 85.19 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.646 0.736 . . . . 0.0 110.909 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -34.55 14.39 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.632 2.222 . . . . 0.0 112.361 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.548 ' HB3' HD22 ' A' ' 80' ' ' LEU . 19.0 m-85 -93.87 131.8 38.92 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.876 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 50.0 mttt -132.62 142.57 49.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.89 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 51.6 t -88.56 136.11 33.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 15.4 mm100 -67.23 -61.09 2.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.906 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 29.2 mt -48.67 -66.05 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.156 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.404 ' SG ' ' HB3' ' A' ' 72' ' ' TYR . 19.9 p -104.83 153.33 39.4 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.644 0.735 . . . . 0.0 110.879 179.89 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 5.34 1.76 Allowed 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.656 2.238 . . . . 0.0 112.362 179.92 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.527 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 70.0 t80 -43.81 166.68 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.958 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.564 ' HB1' ' HB2' ' A' ' 63' ' ' ARG . . . -156.31 142.18 17.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.147 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.433 ' HB2' ' CE2' ' A' ' 72' ' ' TYR . 1.0 OUTLIER -145.89 145.04 30.56 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.893 -179.763 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 13.3 tpp180 -78.78 -49.54 12.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 61.5 t30 -74.73 169.95 16.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.883 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . . . . . . . . . 12.3 t -90.3 -52.41 4.94 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.867 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 79' ' ' GLN . 11.9 t -50.46 -59.53 3.92 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . 0.405 ' C ' ' O ' ' A' ' 78' ' ' SER . 44.0 mt-30 -37.6 -52.34 1.21 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.956 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.548 HD22 ' HB3' ' A' ' 65' ' ' PHE . 9.9 tp -64.94 -43.44 92.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.924 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 69.1 m -50.01 -50.16 48.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.4 t -71.75 -41.37 70.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.105 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.425 ' CD2' ' C ' ' A' ' 83' ' ' HIS . 1.3 t60 -48.21 -43.26 31.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.835 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 73.3 mt -53.49 -52.54 59.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . . . . . . . . . 29.3 mtp85 -41.07 -43.39 2.19 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . . . . . . . . . 4.5 t -41.67 -42.79 2.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -69.16 85.76 0.37 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 58.1 p -90.68 -43.6 10.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.119 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . -155.57 136.21 4.98 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 68.8 m-20 -40.73 135.85 1.53 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.797 0.332 . . . . 0.0 110.861 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 5.9 t -78.11 102.89 7.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.798 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 102.77 150.76 22.8 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.484 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -5.01 15.2 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 8.7 m -94.23 99.63 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.83 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 4.7 m -101.07 132.55 46.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.886 -179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 CA-C-O 119.128 -0.818 . . . . 0.0 112.491 -179.982 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 N-CA-C 112.451 -0.26 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.9 m -160.5 174.64 13.76 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.883 0.373 . . . . 0.0 110.849 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 88.6 p -171.32 166.43 7.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -142.21 174.1 23.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.534 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.1 t -161.87 161.51 28.91 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.89 0.376 . . . . 0.0 110.862 -179.783 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.1 t -121.65 162.6 20.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.862 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.77 83.13 0.3 Allowed Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.483 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 168.64 20.99 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.701 2.268 . . . . 0.0 112.326 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . . . . . . . . . 87.4 m-70 -125.47 120.86 32.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.883 179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 62.9 tttt -127.58 112.79 15.3 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -55.44 118.43 4.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.459 ' HG2' ' N ' ' A' ' 13' ' ' VAL . 1.1 pm0 -92.82 -39.77 11.02 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.889 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.708 HG21 ' CD2' ' A' ' 31' ' ' HIS . 4.4 m -44.7 -41.55 2.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.117 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 30.0 p -112.27 -33.34 6.24 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 100.12 34.7 4.75 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.447 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.0 mmtt -107.58 165.23 11.57 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.752 0.31 . . . . 0.0 110.937 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 25.4 p -131.61 147.9 52.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.466 ' CZ ' ' ND1' ' A' ' 27' ' ' HIS . 99.6 m-85 -146.12 154.89 42.32 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.866 -179.849 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.0 m -99.37 -45.02 5.99 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.891 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 64.5 mmt-85 -69.11 147.03 52.03 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.869 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.84 -17.79 39.76 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.867 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 2.0 t70 -89.14 -51.81 5.39 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.814 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.0 mmpt? -46.08 -33.91 3.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . 0.436 ' O ' ' C ' ' A' ' 25' ' ' LYS . 24.3 tp -77.91 -45.48 23.98 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.92 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . 0.436 ' C ' ' O ' ' A' ' 24' ' ' LEU . 14.7 mmmt -35.02 -52.93 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.865 179.821 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.486 ' O ' ' N ' ' A' ' 28' ' ' MET . 53.7 m -79.24 -49.55 12.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.151 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . 0.481 ' C ' ' O ' ' A' ' 26' ' ' THR . 60.5 t60 -31.6 -37.78 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.875 179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 26' ' ' THR . 4.5 mmt -45.11 -50.12 11.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.869 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.44 ' HG2' ' O ' ' A' ' 26' ' ' THR . 13.7 mmm180 38.74 46.01 0.98 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . 0.44 ' C ' ' O ' ' A' ' 29' ' ' ARG . 2.9 m 35.37 53.05 0.74 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.708 ' CD2' HG21 ' A' ' 13' ' ' VAL . 20.6 m-70 -34.86 119.56 0.47 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.825 -179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 14.1 t -173.69 139.41 0.71 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.188 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -169.57 -167.61 30.35 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.471 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.434 ' O ' ' C ' ' A' ' 35' ' ' LYS . 34.2 m -68.41 177.04 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.94 0.4 . . . . 0.0 111.101 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . 0.794 ' HB3' ' HB1' ' A' ' 45' ' ' ALA . 0.0 OUTLIER 34.97 54.19 1.78 Allowed Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.573 0.701 . . . . 0.0 110.901 179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . 0.443 ' CD ' ' N ' ' A' ' 35' ' ' LYS . 53.9 Cg_endo -69.78 1.11 4.75 Favored 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.706 2.271 . . . . 0.0 112.349 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.426 ' CD2' ' HA ' ' A' ' 49' ' ' SER . 60.8 m-85 -110.47 106.47 15.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.929 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 19.4 mtmm -122.1 152.72 39.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.912 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 8.3 t -63.6 150.0 45.1 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.902 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 21.1 ttmm -69.53 -47.27 64.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.575 HG23 ' N ' ' A' ' 42' ' ' CYS . 8.9 t -91.17 -50.36 5.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.575 ' N ' HG23 ' A' ' 41' ' ' THR . 9.3 m -74.6 177.53 6.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.881 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 66.4 m-20 -122.89 42.95 3.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.83 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -98.6 141.52 31.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.948 -179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.794 ' HB1' ' HB3' ' A' ' 35' ' ' LYS . . . -102.41 136.11 42.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.105 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.422 ' HB1' ' CB ' ' A' ' 51' ' ' SER . . . -112.4 129.03 56.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.131 179.932 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . . . . . . . . . . . -44.94 -58.39 3.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.049 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.479 ' OD1' ' N ' ' A' ' 50' ' ' SER . 2.6 p30 -123.63 -175.16 3.14 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.908 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.426 ' HA ' ' CD2' ' A' ' 37' ' ' TYR . 1.9 t -61.53 -52.21 65.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.91 -179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.479 ' N ' ' OD1' ' A' ' 48' ' ' ASP . 9.7 m -52.8 -52.41 56.93 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.86 -179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.422 ' CB ' ' HB1' ' A' ' 46' ' ' ALA . 14.2 m -39.78 -41.58 1.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.85 -179.812 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . 0.42 ' O ' ' N ' ' A' ' 55' ' ' HIS . 7.2 tp -72.64 -44.81 61.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.951 179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 19.5 m120 -45.5 -29.88 1.27 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 17.1 mtpp -79.1 -33.1 44.72 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.877 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . 0.42 ' N ' ' O ' ' A' ' 52' ' ' LEU . 73.3 t60 -77.65 -26.08 50.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.869 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 53.5 mt -76.72 -36.15 57.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.926 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . 0.406 ' O ' ' C ' ' A' ' 58' ' ' ILE . 78.7 mtt180 -60.09 -52.21 66.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.844 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.501 ' CG1' ' N ' ' A' ' 59' ' ' HIS . 1.0 OUTLIER -36.8 -42.54 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.115 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.501 ' N ' ' CG1' ' A' ' 58' ' ' ILE . 96.2 m-70 -70.3 98.34 1.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.825 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . 0.423 ' O ' ' C ' ' A' ' 61' ' ' ASP . 47.5 t -102.21 78.91 1.8 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.76 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . 0.423 ' C ' ' O ' ' A' ' 60' ' ' SER . 31.7 m-20 35.28 38.3 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.944 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -89.04 119.55 29.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.897 -179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.552 ' HG2' ' HB1' ' A' ' 73' ' ' ALA . 9.2 ttp-105 52.43 52.66 11.37 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.606 0.717 . . . . 0.0 110.899 -179.889 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . 0.472 ' CD ' ' N ' ' A' ' 63' ' ' ARG . 53.7 Cg_endo -69.75 -4.49 14.13 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.739 2.293 . . . . 0.0 112.327 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.799 ' HB3' HD22 ' A' ' 80' ' ' LEU . 99.0 m-85 -103.11 113.34 26.74 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.886 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -123.99 142.36 51.23 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.875 179.939 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 46.0 t -86.58 154.92 20.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 24.7 mm-40 -90.07 -50.09 6.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.924 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . 0.725 ' H ' HD12 ' A' ' 69' ' ' ILE . 5.4 mp -59.36 -52.45 60.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.151 179.901 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . . . . . . . . . 31.9 p -115.68 153.71 47.94 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.611 0.72 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.82 3.81 2.59 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.669 2.246 . . . . 0.0 112.344 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.42 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 90.6 t80 -54.39 163.67 0.83 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.924 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.552 ' HB1' ' HG2' ' A' ' 63' ' ' ARG . . . -167.33 149.12 5.81 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.135 179.88 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.443 ' C ' ' HG3' ' A' ' 63' ' ' ARG . 1.1 t -147.3 160.47 42.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 -179.815 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 4.1 tmt_? -80.85 -47.21 14.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.882 -179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 -85.99 148.72 25.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.87 -179.909 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.43 ' O ' ' C ' ' A' ' 78' ' ' SER . 6.8 t -70.7 -51.57 26.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.905 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 77' ' ' SER . 23.1 p -36.1 -62.76 0.42 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.888 -179.846 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 42.7 mt-30 -43.27 -49.38 6.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.91 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.799 HD22 ' HB3' ' A' ' 65' ' ' PHE . 18.9 tp -63.05 -42.46 99.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.898 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 56.2 m -52.49 -57.74 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.116 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . . . . . . . . . 93.9 t -64.17 -36.69 77.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.143 179.864 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . . . . . . . . . 6.8 t60 -57.06 -47.49 80.85 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.846 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 34.6 mt -68.85 -33.92 74.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.925 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 85' ' ' ARG . 7.2 mtp-105 -55.36 -19.08 7.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.903 179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 87' ' ' HIS . 8.9 m -85.29 -48.47 9.04 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.827 -179.756 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.409 ' C ' ' O ' ' A' ' 86' ' ' SER . 6.7 m-70 -37.07 -74.91 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.873 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 8.7 t -39.25 140.27 0.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.125 -179.932 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . . . . . . . . . . . 151.9 92.18 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.467 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 -63.25 91.14 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 0.0 110.897 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 67.1 m -125.59 86.44 2.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.915 -179.786 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . 175.51 -174.31 46.76 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.484 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 0.74 5.25 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.676 2.251 . . . . 0.0 112.318 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 50.4 m -139.18 130.67 27.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.845 -179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 73.2 m -58.56 -55.68 31.89 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.844 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.141 -0.811 . . . . 0.0 112.511 -179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.354 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.5 m -136.57 146.58 46.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.881 0.372 . . . . 0.0 110.898 -179.774 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 82.4 p -95.92 -42.98 8.03 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.801 -179.76 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 107.4 168.81 21.97 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.555 -179.894 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.1 m -158.67 166.04 32.96 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.823 0.344 . . . . 0.0 110.917 -179.775 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.5 m -152.58 163.62 39.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -132.93 106.5 0.64 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.471 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 156.2 63.77 Favored 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.631 2.221 . . . . 0.0 112.299 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' HIS . . . . . 0.419 ' NE2' ' HE3' ' A' ' 21' ' ' LYS . 84.4 m-70 -94.57 115.47 27.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.869 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 26.7 ttmt -109.03 136.39 48.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' CYS . . . . . . . . . . . . . 1.8 t -52.28 178.16 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.875 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 15.0 pt-20 -133.71 -33.37 1.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.916 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.437 HG21 ' CD2' ' A' ' 31' ' ' HIS . 1.5 m -68.06 -39.87 82.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.114 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' CYS . . . . . . . . . . . . . 31.6 p -116.65 -43.76 2.89 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.916 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLY . . . . . . . . . . . . . . . 102.16 46.08 1.63 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.53 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 31.6 mmtm -94.81 160.18 14.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.761 0.315 . . . . 0.0 110.839 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' CYS . . . . . . . . . . . . . 24.6 p -111.47 145.14 39.53 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.893 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 74.1 m-85 -146.41 142.67 28.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 92.5 p -66.19 -36.74 83.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.832 -179.782 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.1 mtt180 -125.1 155.52 39.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.835 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' LYS . . . . . 0.419 ' HE3' ' NE2' ' A' ' 9' ' ' HIS . 6.2 ptpp? -79.31 -19.65 49.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.865 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -60.29 -51.13 70.84 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.864 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 32.6 mttm -47.31 -41.26 18.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.895 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LEU . . . . . . . . . . . . . 15.6 tp -52.38 -34.97 50.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.948 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LYS . . . . . . . . . . . . . 12.2 ptmt -45.04 -40.72 6.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.919 179.796 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . 0.534 HG23 ' HD2' ' A' ' 29' ' ' ARG . 46.7 m -92.65 -34.56 13.93 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.123 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' HIS . . . . . . . . . . . . . 79.4 t60 -43.99 -31.26 0.86 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.86 179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' MET . . . . . . . . . . . . . 18.3 mmt -64.66 -39.07 93.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.854 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.534 ' HD2' HG23 ' A' ' 26' ' ' THR . 40.6 mtt180 -42.33 -52.61 4.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.883 -179.895 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' CYS . . . . . . . . . . . . . 68.0 m -50.58 -57.48 8.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.437 ' CD2' HG21 ' A' ' 13' ' ' VAL . 53.8 m-70 -50.42 150.27 2.7 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.831 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 8.8 t -128.09 151.94 48.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.14 -179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.483 ' O ' HG22 ' A' ' 34' ' ' VAL . . . -158.63 -105.49 0.21 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.482 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 33' ' ' GLY . 16.6 m 41.81 32.45 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.912 0.386 . . . . 0.0 111.123 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -64.47 113.9 12.32 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.611 0.719 . . . . 0.0 110.903 179.873 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 -37.55 8.95 Favored 'Trans proline' 0 C--N 1.342 0.219 0 C-N-CA 122.659 2.239 . . . . 0.0 112.373 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.437 ' CE1' ' HA ' ' A' ' 49' ' ' SER . 60.4 m-85 -78.0 87.67 4.16 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.926 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LYS . . . . . . . . . . . . . 4.5 mtmp? -129.12 116.14 18.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.897 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' CYS . . . . . . . . . . . . . 43.1 t -50.3 161.86 0.26 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.863 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 36.9 mtpt -82.6 -71.2 0.5 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.906 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' THR . . . . . 0.44 ' CG2' ' N ' ' A' ' 42' ' ' CYS . 1.5 t -57.12 -40.97 78.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.16 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' CYS . . . . . 0.44 ' N ' ' CG2' ' A' ' 41' ' ' THR . 6.6 m -89.37 179.79 6.01 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 40.9 t0 -122.61 5.28 9.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.904 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' TYR . . . . . 0.424 ' CD1' ' N ' ' A' ' 45' ' ' ALA . 6.7 t80 -52.93 139.4 27.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.903 -179.796 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ALA . . . . . 0.424 ' N ' ' CD1' ' A' ' 44' ' ' TYR . . . -120.49 122.38 40.53 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.076 179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ALA . . . . . 0.633 ' HB1' ' HB3' ' A' ' 51' ' ' SER . . . -115.21 150.11 36.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.109 179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ALA . . . . . 0.422 ' O ' ' CG ' ' A' ' 48' ' ' ASP . . . -104.29 33.37 3.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.433 . . . . 0.0 111.113 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.422 ' CG ' ' O ' ' A' ' 47' ' ' ALA . 7.9 m-20 -173.09 147.14 1.56 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.437 ' HA ' ' CE1' ' A' ' 37' ' ' TYR . 6.4 t -56.3 -44.96 80.39 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.875 -179.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 68.3 p -69.32 -38.67 78.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.864 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' SER . . . . . 0.633 ' HB3' ' HB1' ' A' ' 46' ' ' ALA . 2.3 m -52.05 -28.35 17.02 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.89 -179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' LEU . . . . . . . . . . . . . 13.7 tp -87.96 -42.19 12.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.932 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASN . . . . . . . . . . . . . 84.1 m-20 -51.46 -25.4 6.37 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.884 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 11.4 ttpp -79.13 -26.81 42.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.919 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' HIS . . . . . . . . . . . . . 28.1 t60 -75.53 -28.47 59.1 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.857 179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 73.1 mt -70.33 -20.55 62.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.955 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' ARG . . . . . . . . . . . . . 70.4 mtp180 -74.34 -22.93 59.0 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.844 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ILE . . . . . 0.485 ' C ' HD12 ' A' ' 58' ' ' ILE . 0.7 OUTLIER -75.31 -28.1 20.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.158 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' HIS . . . . . 0.427 ' N ' HG13 ' A' ' 58' ' ' ILE . 33.9 m-70 -60.67 -30.09 69.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.857 179.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' SER . . . . . . . . . . . . . 68.6 m -88.13 46.78 1.42 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.851 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -173.09 110.97 0.2 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.884 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 53.8 mt-10 -108.11 172.11 7.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.916 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.403 ' HD2' ' C ' ' A' ' 73' ' ' ALA . 42.3 mtm180 -130.32 129.4 22.85 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.608 0.718 . . . . 0.0 110.865 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -40.91 4.72 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.372 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' PHE . . . . . 0.969 ' HB3' HD22 ' A' ' 80' ' ' LEU . 93.6 m-85 -79.96 143.64 33.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.843 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -148.6 151.56 35.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.902 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' CYS . . . . . . . . . . . . . 52.8 t -99.68 150.96 21.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.847 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 3.2 mp0 -82.4 -62.38 1.63 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.872 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ILE . . . . . . . . . . . . . 19.9 mt -47.59 -45.35 10.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.128 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' CYS . . . . . 0.41 ' SG ' ' CB ' ' A' ' 72' ' ' TYR . 19.2 p -125.93 152.83 73.4 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.616 0.722 . . . . 0.0 110.904 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 3.46 2.76 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.691 2.261 . . . . 0.0 112.37 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' TYR . . . . . 0.43 ' CG ' ' N ' ' A' ' 73' ' ' ALA . 92.3 t80 -44.46 162.94 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.957 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ALA . . . . . 0.43 ' N ' ' CG ' ' A' ' 72' ' ' TYR . . . -156.03 146.81 22.03 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.136 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.1 t -136.77 163.71 29.97 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.885 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ARG . . . . . . . . . . . . . 16.1 ttp180 -91.51 -34.91 14.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.899 -179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.407 ' H ' ' ND2' ' A' ' 76' ' ' ASN . 0.2 OUTLIER -107.16 -176.2 3.01 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.909 -179.988 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' SER . . . . . 0.415 ' O ' ' C ' ' A' ' 78' ' ' SER . 9.0 t -87.28 -60.17 2.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.92 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' SER . . . . . 0.43 ' O ' ' N ' ' A' ' 81' ' ' THR . 11.2 t -37.19 -67.64 0.18 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.843 -179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLN . . . . . . . . . . . . . 12.3 mt-30 -38.19 -40.64 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.912 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.969 HD22 ' HB3' ' A' ' 65' ' ' PHE . 64.1 tp -74.14 -41.2 61.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.908 179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 78' ' ' SER . 98.2 m -63.27 -47.24 83.18 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.14 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' VAL . . . . . 0.452 ' CG1' ' N ' ' A' ' 83' ' ' HIS . 0.5 OUTLIER -62.82 -39.65 85.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.1 179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' HIS . . . . . 0.452 ' N ' ' CG1' ' A' ' 82' ' ' VAL . 1.9 t60 -66.49 -43.14 86.2 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.889 179.907 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LEU . . . . . . . . . . . . . 16.6 mt -58.25 -56.46 21.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.933 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ARG . . . . . 0.433 HH21 ' CB ' ' A' ' 86' ' ' SER . 0.0 OUTLIER -63.69 -8.57 10.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.867 179.882 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' SER . . . . . 0.433 ' CB ' HH21 ' A' ' 85' ' ' ARG . 5.4 t -80.89 -29.99 35.56 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 -179.789 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 89' ' ' GLY . 36.4 m-70 -57.17 -59.0 5.74 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.814 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' THR . . . . . . . . . . . . . 63.4 p -40.17 -25.01 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.136 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLY . . . . . 0.47 ' N ' ' O ' ' A' ' 87' ' ' HIS . . . -114.56 118.68 4.44 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.751 -0.737 . . . . 0.0 112.455 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -117.4 94.52 4.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.774 0.321 . . . . 0.0 110.851 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' SER . . . . . . . . . . . . . 29.8 t -110.57 -50.85 2.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.86 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLY . . . . . . . . . . . . . . . -123.97 77.6 0.36 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.463 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -15.18 36.98 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.66 2.24 . . . . 0.0 112.341 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 58.6 m -46.64 118.06 1.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.848 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 3.6 m -70.95 -49.75 42.12 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.869 -179.805 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.119 -0.823 . . . . 0.0 112.53 -179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 191' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 241' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 291' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_