data_2lbb_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 2lbb _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 ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 73.32 110.815 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 63.44 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 64.45 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.86 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.089 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.31 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 64.23 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.12 111.07 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 74.53 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 73.55 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 55.41 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 75.55 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 72.42 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.55 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 62.4 110.863 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 72.2 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.926 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.95 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 65.31 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.34 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.893 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.1 111.113 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 75.41 111.12 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.44 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 73.43 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.872 0.367 . . . . 73.22 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 43.54 111.114 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.32 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.147 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 70.12 111.109 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 63.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.878 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.069 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 65.41 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 71.22 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 71.13 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 73.44 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.34 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 75.44 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.23 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.937 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.52 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.917 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 63.11 111.138 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 64.31 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.54 111.113 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 75.13 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.22 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.895 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.14 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.932 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 64.43 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 71.2 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 74.13 110.845 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 63.2 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.34 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.08 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 64.04 110.873 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.117 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.893 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.24 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 73.23 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 70.4 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.438 ' N ' HD11 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.04 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 73.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.879 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.24 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.056 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 61.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 63.44 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.119 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.937 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 74.04 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 64.42 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.941 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.888 0.375 . . . . 75.11 110.84 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.41 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.21 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 73.44 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 72.31 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 75.35 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 70.34 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 73.42 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 73.54 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 71.21 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 74.31 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.42 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.8 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.941 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 65.45 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.52 111.1 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 74.55 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 74.15 110.888 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 64.41 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.081 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 62.1 111.167 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.882 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.23 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.938 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.32 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.895 0.378 . . . . 71.25 110.887 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 64.32 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.174 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.176 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 54.32 111.096 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.854 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 52.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 72.44 110.895 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 73.22 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.05 111.131 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 72.41 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 53.24 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 74.04 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 75.14 111.159 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.15 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 65.13 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.12 111.14 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 63.1 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.923 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 74.32 111.12 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.914 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 72.44 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 74.42 110.84 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 72.22 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 70.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 62.22 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 61.33 111.061 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.51 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.903 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 73.12 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 74.23 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 75.14 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 72.11 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.15 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.875 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 61.04 111.146 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . 0.452 ' ND2' ' HE ' ' A' ' 64' ' ' ARG . 2.4 t30 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 55.2 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.929 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . 0.452 ' HE ' ' ND2' ' A' ' 61' ' ' ASN . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.885 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 73.4 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.096 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 72.23 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.51 111.155 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.128 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 51.1 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 72.4 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 75.44 110.839 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 73.3 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 72.35 111.115 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.34 111.139 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.34 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.886 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 73.43 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 71.42 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 63.2 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 65.14 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 75.02 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 75.23 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 62.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 63.35 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 75.01 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.967 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 63.44 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 73.42 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 70.41 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 73.03 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.134 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.43 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.943 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 74.35 111.119 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.23 111.155 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.907 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.892 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 73.32 110.829 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.45 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.43 111.08 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 74.2 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.121 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 73.22 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 65.33 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.3 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.45 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.856 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.04 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 64.14 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 74.44 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 74.24 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 74.13 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.12 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.22 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 70.14 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.909 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 71.04 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.052 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.072 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.941 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 70.43 110.89 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.144 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 74.44 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.02 110.847 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.53 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 70.1 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.182 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 72.23 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 75.34 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 71.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 75.24 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 74.4 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 54.55 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 64.11 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . 0.456 ' N ' HD12 ' A' ' 49' ' ' LEU . 17.3 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 74.32 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.174 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 62.45 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.893 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 72.25 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.152 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.971 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.3 110.934 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 72.21 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 60.03 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 72.55 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 70.3 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 73.44 111.068 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 75.43 111.109 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.13 111.072 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.914 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.13 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 61.23 111.113 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 75.22 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 74.4 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 70.15 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 74.12 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 74.23 111.152 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 70.23 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.909 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.899 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 74.45 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -106.66 19.8 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 73.32 110.815 -179.791 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 63.44 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 71.4 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 64.45 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.34 110.86 -179.892 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 75.14 111.089 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 74.03 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 73.33 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.31 111.142 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 64.23 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 64.43 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.3 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 75.12 111.07 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.11 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 74.53 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.4 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 74.12 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.45 110.885 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.14 110.908 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 74.51 110.904 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.54 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 75.44 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 71.41 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 73.55 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 55.41 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 75.55 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 72.42 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 71.55 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 62.4 110.863 -179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.411 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 72.2 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 73.41 110.906 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 73.32 110.926 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 74.43 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 74.22 110.95 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 73.34 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 65.31 111.143 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 72.11 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.34 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.23 110.893 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 71.42 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 73.1 111.113 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 75.41 111.12 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 75.13 110.903 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.44 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 73.43 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 71.41 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.776 0.322 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -56.0 -26.12 47.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 70.3 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 74.0 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 43.54 111.114 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 74.32 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 71.4 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 74.11 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 73.43 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 73.43 111.147 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.13 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 75.34 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 70.12 111.109 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 74.2 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 63.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 75.11 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 75.24 110.878 179.928 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.34 110.906 -179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 74.43 111.069 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 65.41 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 71.22 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 71.13 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 73.44 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.34 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 75.44 110.88 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.416 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 65.23 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 73.42 110.937 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 64.52 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 74.21 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 74.2 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 72.13 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 65.14 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 71.2 111.134 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.03 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 63.12 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 74.12 110.917 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 71.44 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 63.11 111.138 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 64.31 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.34 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 64.54 111.113 179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 75.13 110.893 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.22 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 75.14 110.895 -179.807 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 75.14 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 73.33 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 75.12 110.932 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 70.11 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 75.1 110.933 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 64.43 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 71.2 110.915 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.315 . . . . 73.53 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.76 -42.8 65.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.845 -179.821 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 63.2 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.52 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 70.32 111.14 179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 75.25 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.34 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 72.54 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 74.13 111.08 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 72.42 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 74.43 110.906 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 74.14 110.935 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 64.04 110.873 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 74.31 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.54 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.4 111.117 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 73.14 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 73.35 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 70.25 110.893 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.24 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 73.23 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 74.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.496 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 70.4 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.438 ' N ' HD11 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 65.04 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 71.01 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.495 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 74.31 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 75.41 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 72.42 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 73.24 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 74.03 110.879 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 74.3 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 75.14 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.24 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.42 111.056 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 74.3 110.914 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 61.44 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 63.44 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 72.24 111.114 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 75.43 111.119 -179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 73.23 110.937 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 74.04 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 64.42 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 74.14 110.941 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 74.45 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -57.78 -24.77 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.84 -179.75 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.41 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 73.24 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 71.31 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.415 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 74.15 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.415 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 73.45 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.21 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 73.44 111.101 179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 72.31 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 75.35 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 73.35 110.913 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 75.54 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 70.34 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 73.42 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 73.54 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 71.21 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 74.31 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.41 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.419 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.42 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 74.1 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.49 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.8 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 73.23 110.941 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 65.45 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 72.52 111.1 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 74.55 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 74.15 110.888 -179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.01 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 64.41 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 73.03 111.081 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 71.43 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 62.1 111.167 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.3 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 72.12 110.882 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 74.01 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 64.23 111.124 -179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.51 110.938 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.32 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 73.45 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 72.03 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -119.06 24.96 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 71.25 110.887 -179.819 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 64.32 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.22 110.868 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 72.25 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 74.43 111.174 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 65.1 111.176 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 54.32 111.096 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 72.55 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.11 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 74.23 110.854 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 52.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 72.44 110.895 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 75.23 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 73.22 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 73.05 111.131 179.881 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 72.2 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 72.41 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 53.24 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 74.04 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.417 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 74.25 110.925 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 71.34 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.477 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 74.32 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 75.52 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 74.43 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 75.15 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 75.14 111.159 179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 75.23 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 71.15 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 65.13 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 75.33 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.12 111.14 -179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 72.34 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 63.1 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.22 110.912 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.14 110.923 -179.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 74.32 111.12 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.921 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 73.44 110.914 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 72.44 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 72.44 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 74.33 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.324 . . . . 74.21 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -55.1 -37.38 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.84 -179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 72.22 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 71.12 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 70.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 62.22 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 61.33 111.061 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.43 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 74.51 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 75.24 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 72.24 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 74.4 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 74.24 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 62.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 74.21 110.828 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 72.01 110.903 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 72.33 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 73.12 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 73.11 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 74.23 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 75.14 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 72.11 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.413 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 71.15 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 75.44 110.884 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 75.2 110.875 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 71.33 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 70.34 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 73.41 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 74.25 110.879 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 75.02 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 73.01 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 61.04 111.146 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 74.13 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . 0.452 ' ND2' ' HE ' ' A' ' 64' ' ' ARG . 2.4 t30 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 55.2 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 75.34 110.929 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . 0.452 ' HE ' ' ND2' ' A' ' 61' ' ' ASN . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 64.53 110.885 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 65.14 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 73.4 110.883 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 73.22 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.43 111.096 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 73.33 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 72.23 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 75.51 111.155 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 72.55 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 72.52 111.128 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 51.1 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 72.4 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.727 0.299 . . . . 74.51 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.0 m -54.32 -40.91 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 75.44 110.839 -179.796 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 73.3 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 73.34 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 72.35 111.115 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 74.34 111.139 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 72.21 111.126 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 72.51 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.53 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.41 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 75.34 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 73.33 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 75.13 110.886 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 75.35 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 73.43 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 71.42 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 73.54 111.089 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 63.2 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.24 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 65.14 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 75.42 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 75.02 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 75.23 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 62.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 63.35 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 75.01 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.24 110.967 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 74.42 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 75.2 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.02 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 63.44 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 73.14 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.03 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.51 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 73.42 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 70.41 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 73.03 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 75.11 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 73.33 111.134 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 74.5 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 65.24 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 70.43 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 73.43 110.943 -179.86 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 74.35 111.119 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 74.45 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.954 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.4 110.88 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.23 111.155 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 74.42 110.907 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 71.01 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 62.44 110.892 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.819 0.342 . . . . 74.41 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -62.72 -24.59 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.829 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.24 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 70.44 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 73.45 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.43 111.08 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 71.05 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 74.2 111.138 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 75.14 111.121 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 73.22 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 73.24 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 65.33 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 64.3 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 73.12 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 73.42 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.45 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 74.33 110.856 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.04 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 71.21 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.25 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 64.14 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 75.2 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 74.44 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 74.24 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 74.13 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 74.32 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.491 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.437 ' N ' HD12 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 64.12 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 75.5 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.22 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 75.0 110.886 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 72.4 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 70.14 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 73.2 110.909 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 75.41 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 73.15 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 71.04 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.52 111.052 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 74.41 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 74.12 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 74.45 111.072 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 72.3 110.941 -179.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 75.51 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.43 110.928 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 70.43 110.89 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 71.32 111.144 -179.885 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 74.44 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 75.13 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 74.04 110.951 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.2 m -77.6 -23.75 49.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.847 -179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 71.53 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 75.44 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 74.1 111.096 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.21 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 70.1 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 74.24 111.182 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 72.23 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 74.32 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 75.44 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.23 110.911 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 75.14 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 75.42 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 73.35 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 71.13 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 75.34 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 71.0 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 75.24 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 74.4 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 54.55 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 64.11 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.492 ' CD2' ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 72.41 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . 0.456 ' N ' HD12 ' A' ' 49' ' ' LEU . 17.3 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.32 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . 0.497 ' NE2' ' H ' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.51 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 65.32 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 74.32 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 74.31 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 73.33 111.174 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 62.45 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 62.41 110.893 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 73.34 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 72.25 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 71.52 111.152 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 75.44 110.971 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 74.3 110.934 179.869 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 72.24 110.951 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 72.21 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 75.21 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 60.03 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 74.35 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -61.34 -25.03 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 72.55 110.872 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 70.3 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 75.51 110.901 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . 0.427 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 73.44 111.068 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 75.43 111.109 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.427 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 74.22 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 74.14 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' VAL . . . . . . . . . . . . . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 73.13 111.072 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 74.11 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 73.21 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 74.03 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.21 110.914 179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' LYS . . . . . . . . . . . . . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 75.12 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 75.13 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ALA . . . . . . . . . . . . . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 61.23 111.113 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 70.23 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 75.22 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 74.4 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 70.15 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LEU . . . . . 0.409 ' N ' ' CD1' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 73.24 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 72.3 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 75.32 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LEU . . . . . . . . . . . . . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 63.52 110.932 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 74.12 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 74.23 111.152 -179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 64.42 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ALA . . . . . . . . . . . . . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 70.23 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 74.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 71.31 110.909 179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 64.41 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' THR . . . . . . . . . . . . . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' LEU . . . . . . . . . . . . . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' TRP . . . . . . . . . . . . . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.21 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.22 110.899 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.661 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 73.32 110.815 . . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 41.1 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 54.14 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 65.24 111.089 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.01 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.142 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 54.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 13' ' ' VAL . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 51.1 111.07 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 59' ' ' ALA . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HD2' HD11 ' A' ' 63' ' ' LEU . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 54.54 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.535 ' OE1' HD12 ' A' ' 63' ' ' LEU . 1.2 mp0 -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 65.51 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 64.34 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 52.35 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HA ' HE21 ' A' ' 35' ' ' GLN . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 70.51 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 63.45 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.32 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.557 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 61.41 110.863 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' C ' HD11 ' A' ' 27' ' ' LEU . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.21 110.926 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.639 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.1 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 62.15 110.95 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 54.21 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.15 111.143 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.32 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HD2' HG22 ' A' ' 68' ' ' THR . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.893 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.661 HG11 ' OG ' ' A' ' 2' ' ' SER . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.12 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.43 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.74 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 72.53 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.34 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.872 0.367 . . . . 70.53 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.23 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 23.35 111.114 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 72.03 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 17' ' ' THR . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 33.11 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 50.12 111.147 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 63.31 111.109 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 54.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 50.32 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.14 110.878 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CD1' HG11 ' A' ' 13' ' ' VAL . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.2 110.906 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 63' ' ' LEU . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 34.22 111.069 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 64.04 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 64.23 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 44.12 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 53.55 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.05 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 71.11 110.88 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.02 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 54.55 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 70.32 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 43.54 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 55.22 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 ' HE3' ' A' ' 31' ' ' LYS . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 54.23 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.503 ' HE2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 72' ' ' LYS . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 52.24 111.138 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 62.52 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 22.32 111.113 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD2' HG22 ' A' ' 68' ' ' THR . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.13 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.895 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.76 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.932 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.933 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 44.22 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 64.52 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 74.13 110.845 . . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 51.4 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 62.3 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' PHE . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.14 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.1 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 34.42 111.08 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 63.13 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 59' ' ' ALA . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.935 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 54.34 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 65.04 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HD12 ' A' ' 63' ' ' LEU . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 68' ' ' THR . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.15 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 70.44 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 55.15 110.893 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.22 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 61.24 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 54.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 62.11 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.439 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 51.05 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 70.22 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CD ' ' A' ' 31' ' ' LYS . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.879 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 64.22 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 72' ' ' LYS . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 65.03 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.21 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 61.44 111.056 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.771 ' HD2' HG22 ' A' ' 68' ' ' THR . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 2' ' ' SER . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 61.15 111.114 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.67 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 82' ' ' LEU . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 65.4 111.119 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 61.41 110.937 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 73.21 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 54.51 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.731 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 71.03 110.941 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.888 0.375 . . . . 75.11 110.84 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.31 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 70.12 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.605 HG11 ' CD2' ' A' ' 29' ' ' PHE . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 41.42 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.13 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 54.12 111.101 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 64.42 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 63.03 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.04 110.913 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HD2' HD11 ' A' ' 63' ' ' LEU . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' OE1' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 52.42 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 62.05 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 64.41 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 73.51 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.521 ' H ' HD13 ' A' ' 49' ' ' LEU . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 110.941 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.02 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.1 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 71.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 31' ' ' LYS . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.48 ' CE ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 73.44 110.888 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.701 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 45.22 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 41.24 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HD2' HG22 ' A' ' 68' ' ' THR . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 43.12 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.167 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.12 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 82' ' ' LEU . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.24 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.938 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.895 0.378 . . . . 71.25 110.887 . . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 54.24 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.868 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' THR . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 70.14 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.76 HG22 ' H ' ' A' ' 18' ' ' THR . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 55.41 111.174 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' VAL . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 61.14 111.176 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' THR . . . . . 0.76 ' H ' HG22 ' A' ' 16' ' ' THR . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 34.44 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' CB ' ' A' ' 59' ' ' ALA . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 60.31 110.854 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HE3' HD21 ' A' ' 63' ' ' LEU . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 53.11 110.895 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 64.13 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.34 111.131 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 70.42 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 71.22 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 52.01 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 64.41 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.532 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 5.2 mt-30 -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.925 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 55.23 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 51.31 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 70.22 111.159 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.14 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 64.32 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 70.53 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.736 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.14 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 55.04 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.736 ' HD2' HG22 ' A' ' 68' ' ' THR . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.912 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HH ' ' HD1' ' A' ' 29' ' ' PHE . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.31 110.923 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 2' ' ' SER . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.12 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.914 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 61.1 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 74.42 110.84 . . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 52.51 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 61.44 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.11 111.061 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 54.51 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.52 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.828 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.649 ' HE3' HD21 ' A' ' 63' ' ' LEU . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 54.24 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 61.23 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 62.11 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 54.1 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 64.22 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.449 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.508 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.884 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.875 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.2 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 27' ' ' LEU . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.879 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 44.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 45.13 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD21 ' HE3' ' A' ' 31' ' ' LYS . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.929 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.4 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 52.33 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.477 ' CE ' HD23 ' A' ' 63' ' ' LEU . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 61.03 110.883 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 45.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.726 HG22 ' HD2' ' A' ' 72' ' ' LYS . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.096 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.43 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 34.43 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.726 ' HD2' HG22 ' A' ' 68' ' ' THR . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 2' ' ' SER . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 63.51 111.155 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 65.04 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 82' ' ' LEU . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 78' ' ' LEU . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 50.4 111.128 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 45.3 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.712 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 63.12 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 76' ' ' VAL . 36.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 54.1 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.14 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.11 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 6' ' ' PHE . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 53.14 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 17' ' ' THR . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 71.35 111.115 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 63.34 111.139 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 35.34 111.126 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 55.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 63.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 59' ' ' ALA . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.886 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 64.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 70.43 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.089 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 51.1 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 43.52 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 62.04 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 64.45 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 61.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 62.14 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.558 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 65.34 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' N ' HD22 ' A' ' 49' ' ' LEU . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 55.14 110.967 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.31 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 61.32 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.32 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 66' ' ' MET . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 52.31 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.636 ' HE2' HD23 ' A' ' 63' ' ' LEU . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 62.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.11 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 63.52 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.943 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.119 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.88 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.155 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.907 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.14 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 54.01 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 73.32 110.829 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 63.14 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 64.33 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.03 111.08 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 54.2 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 17' ' ' THR . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 52.12 111.138 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 42.15 111.121 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 41.4 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 64.4 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 63.53 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.44 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 65.15 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CD ' HD11 ' A' ' 63' ' ' LEU . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 70.5 110.856 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.02 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 55.44 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 53.34 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 62.01 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 72.21 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 72.34 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 72.23 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 72.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 51.53 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HG3' HD11 ' A' ' 27' ' ' LEU . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.886 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 64.42 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 31' ' ' LYS . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.909 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.13 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 65.34 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 61.15 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.45 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 34.31 111.072 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 ' CH2' ' A' ' 86' ' ' TRP . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 52.24 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.144 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 62.41 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.51 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.654 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 76' ' ' VAL . 44.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.02 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 62.14 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' THR . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 72.45 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 63.33 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 16' ' ' THR . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 61.31 111.182 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 62.43 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 70.13 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' HD23 ' A' ' 82' ' ' LEU . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.911 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE3' HD21 ' A' ' 63' ' ' LEU . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 64.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 63.41 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 41.31 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 55.1 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 42.12 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 52.25 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 74.31 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 63.41 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 53.52 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 55.33 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 70.11 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 49' ' ' LEU . 34.8 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' HD21 ' A' ' 27' ' ' LEU . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD23 ' CE ' ' A' ' 66' ' ' MET . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 61.43 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.55 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.644 HG22 ' HD2' ' A' ' 72' ' ' LYS . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 70.23 111.174 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 51.34 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.644 ' HD2' HG22 ' A' ' 68' ' ' THR . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.893 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 61.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 52.35 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 2' ' ' SER . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 50.13 111.152 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.625 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.971 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.934 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 62.14 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.645 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 51.31 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 71.42 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 33.12 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.901 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.068 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' PHE . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 74.54 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.12 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 29' ' ' PHE . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 71.33 111.072 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 64.2 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 52.23 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 61.11 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.914 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 13' ' ' VAL . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 63' ' ' LEU . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 60.32 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.01 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 73.04 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 63.31 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 64.2 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 60.53 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 27' ' ' LEU . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.33 110.932 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 61.4 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' MET . . . . . 0.438 ' CE ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' THR . . . . . 0.76 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 65.32 111.152 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.2 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HD2' HG22 ' A' ' 68' ' ' THR . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 60.51 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 82' ' ' LEU . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 61.24 110.909 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' TRP . . . . . 0.689 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.899 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 62.34 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.661 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -106.66 19.8 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 73.32 110.815 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 41.1 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 54.14 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 65.24 111.089 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.01 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.142 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 54.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 13' ' ' VAL . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 51.1 111.07 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 59' ' ' ALA . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HD2' HD11 ' A' ' 63' ' ' LEU . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 54.54 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.535 ' OE1' HD12 ' A' ' 63' ' ' LEU . 1.2 mp0 -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.908 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 65.51 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 64.34 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 52.35 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.422 ' HA ' HE21 ' A' ' 35' ' ' GLN . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 70.51 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 63.45 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.32 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.557 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 61.41 110.863 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 1.9 mp0 -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' C ' HD11 ' A' ' 27' ' ' LEU . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.21 110.926 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.639 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.1 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.664 HD11 ' HD2' ' A' ' 31' ' ' LYS . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 62.15 110.95 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 54.21 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.15 111.143 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.32 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HD2' HG22 ' A' ' 68' ' ' THR . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.893 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.661 HG11 ' OG ' ' A' ' 2' ' ' SER . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.12 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.43 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.74 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 72.53 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.34 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.776 0.322 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -56.0 -26.12 47.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 70.53 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.23 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 23.35 111.114 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 72.03 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 17' ' ' THR . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 33.11 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 50.12 111.147 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 63.31 111.109 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 54.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 50.32 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.14 110.878 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CD1' HG11 ' A' ' 13' ' ' VAL . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.2 110.906 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 63' ' ' LEU . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 34.22 111.069 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 64.04 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 64.23 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 44.12 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 53.55 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.05 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 71.11 110.88 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.02 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 54.55 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 70.32 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 43.54 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 55.22 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 ' HE3' ' A' ' 31' ' ' LYS . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 54.23 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.503 ' HE2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 72' ' ' LYS . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 52.24 111.138 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 62.52 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 22.32 111.113 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD2' HG22 ' A' ' 68' ' ' THR . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.13 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.895 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.76 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.932 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.933 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 44.22 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 64.52 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.315 . . . . 73.53 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -52.76 -42.8 65.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.845 -179.821 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 51.4 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 62.3 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' PHE . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.14 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.1 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 34.42 111.08 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 63.13 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 59' ' ' ALA . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.935 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 54.34 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 65.04 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HD12 ' A' ' 63' ' ' LEU . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 68' ' ' THR . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.15 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 70.44 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 55.15 110.893 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.22 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 61.24 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 54.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 62.11 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 51.05 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.8 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 70.22 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CD ' ' A' ' 31' ' ' LYS . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.879 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 64.22 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 72' ' ' LYS . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 65.03 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.21 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 61.44 111.056 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.771 ' HD2' HG22 ' A' ' 68' ' ' THR . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 2' ' ' SER . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 61.15 111.114 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.67 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 82' ' ' LEU . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 65.4 111.119 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 61.41 110.937 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 73.21 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 54.51 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.731 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 71.03 110.941 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 64.44 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -57.78 -24.77 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.84 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.31 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 70.12 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.605 HG11 ' CD2' ' A' ' 29' ' ' PHE . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 41.42 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.13 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 54.12 111.101 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 64.42 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 63.03 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.04 110.913 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HD2' HD11 ' A' ' 63' ' ' LEU . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' OE1' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 52.42 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.8 p-10 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 62.05 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 64.41 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 73.51 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.521 ' H ' HD13 ' A' ' 49' ' ' LEU . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.0 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 110.941 179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.02 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.1 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 71.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 31' ' ' LYS . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.48 ' CE ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 73.44 110.888 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.701 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 45.22 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 41.24 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HD2' HG22 ' A' ' 68' ' ' THR . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 43.12 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.167 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.12 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 82' ' ' LEU . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.24 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.938 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 72.03 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -119.06 24.96 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 71.25 110.887 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 54.24 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.868 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' THR . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 70.14 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.76 HG22 ' H ' ' A' ' 18' ' ' THR . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 55.41 111.174 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' VAL . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 61.14 111.176 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' THR . . . . . 0.76 ' H ' HG22 ' A' ' 16' ' ' THR . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 34.44 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' CB ' ' A' ' 59' ' ' ALA . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 60.31 110.854 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HE3' HD21 ' A' ' 63' ' ' LEU . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 53.11 110.895 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 64.13 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.34 111.131 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 70.42 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 71.22 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 52.01 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 64.41 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.532 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 5.2 mt-30 -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.925 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 22.6 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 55.23 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 51.31 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 70.22 111.159 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.14 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 64.32 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 70.53 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.736 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.14 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 55.04 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.736 ' HD2' HG22 ' A' ' 68' ' ' THR . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.912 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HH ' ' HD1' ' A' ' 29' ' ' PHE . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.31 110.923 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 2' ' ' SER . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.12 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.914 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 61.1 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.324 . . . . 74.21 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -55.1 -37.38 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.84 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 52.51 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 61.44 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.11 111.061 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 54.51 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.52 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.828 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.649 ' HE3' HD21 ' A' ' 63' ' ' LEU . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 54.24 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 61.23 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 62.11 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 54.1 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 64.22 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.449 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.508 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.884 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.875 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.2 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 27' ' ' LEU . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.879 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 44.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 45.13 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD21 ' HE3' ' A' ' 31' ' ' LYS . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.929 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.4 110.885 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 52.33 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.477 ' CE ' HD23 ' A' ' 63' ' ' LEU . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 61.03 110.883 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 45.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.726 HG22 ' HD2' ' A' ' 72' ' ' LYS . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.096 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.43 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 34.43 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.726 ' HD2' HG22 ' A' ' 68' ' ' THR . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 2' ' ' SER . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 63.51 111.155 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 65.04 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 82' ' ' LEU . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 78' ' ' LEU . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 50.4 111.128 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 45.3 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.712 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 63.12 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.727 0.299 . . . . 74.51 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 76' ' ' VAL . 36.0 m -54.32 -40.91 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.839 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.14 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.11 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 6' ' ' PHE . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 53.14 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 17' ' ' THR . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 71.35 111.115 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 63.34 111.139 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 35.34 111.126 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 55.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 63.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 59' ' ' ALA . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.886 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 64.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 70.43 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.089 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 51.1 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 43.52 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 62.04 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 64.45 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 61.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 62.14 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.558 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 65.34 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' N ' HD22 ' A' ' 49' ' ' LEU . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 55.14 110.967 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.31 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 61.32 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.32 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 66' ' ' MET . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 52.31 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.636 ' HE2' HD23 ' A' ' 63' ' ' LEU . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 62.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.11 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 63.52 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.943 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.119 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.88 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.155 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.907 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.14 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 54.01 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.819 0.342 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -62.72 -24.59 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.829 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 63.14 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 64.33 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.03 111.08 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 54.2 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 17' ' ' THR . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 52.12 111.138 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 42.15 111.121 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 41.4 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 64.4 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 63.53 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.44 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 65.15 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CD ' HD11 ' A' ' 63' ' ' LEU . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 70.5 110.856 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.02 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 55.44 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 53.34 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 62.01 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 72.21 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 72.34 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 72.23 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 72.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 51.53 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HG3' HD11 ' A' ' 27' ' ' LEU . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.886 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 64.42 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 31' ' ' LYS . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.909 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.13 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 65.34 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 61.15 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.45 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 34.31 111.072 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 ' CH2' ' A' ' 86' ' ' TRP . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 52.24 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.144 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 62.41 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.51 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.654 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 76' ' ' VAL . 44.2 m -77.6 -23.75 49.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.847 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 62.14 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' THR . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 72.45 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 63.33 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 16' ' ' THR . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 61.31 111.182 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 62.43 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 70.13 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' HD23 ' A' ' 82' ' ' LEU . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.911 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE3' HD21 ' A' ' 63' ' ' LEU . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 64.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 63.41 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 41.31 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 55.1 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 42.12 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 1.9 p-10 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 52.25 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 74.31 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 63.41 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 53.52 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 55.33 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 70.11 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 49' ' ' LEU . 34.8 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 21.5 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' HD21 ' A' ' 27' ' ' LEU . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD23 ' CE ' ' A' ' 66' ' ' MET . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 61.43 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.55 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.644 HG22 ' HD2' ' A' ' 72' ' ' LYS . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 70.23 111.174 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 51.34 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.644 ' HD2' HG22 ' A' ' 68' ' ' THR . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.893 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 61.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 52.35 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 2' ' ' SER . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 50.13 111.152 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.625 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.971 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.934 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 62.14 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.645 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 51.31 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 73.25 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -61.34 -25.03 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.872 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 33.12 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.901 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.068 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' PHE . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 74.54 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.12 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 29' ' ' PHE . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 71.33 111.072 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 64.2 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 52.23 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 61.11 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.914 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 13' ' ' VAL . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 63' ' ' LEU . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.4 mp0 -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 60.32 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.01 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 73.04 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 63.31 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 64.2 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 60.53 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 27' ' ' LEU . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.33 110.932 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 61.4 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' MET . . . . . 0.438 ' CE ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' THR . . . . . 0.76 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 65.32 111.152 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.2 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HD2' HG22 ' A' ' 68' ' ' THR . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 60.51 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 82' ' ' LEU . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 61.24 110.909 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' TRP . . . . . 0.689 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.899 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.661 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.874 0.369 . . . . 73.32 110.815 . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 41.1 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 54.14 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 65.24 111.089 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.01 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.142 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 54.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 13' ' ' VAL . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.506 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 51.1 111.07 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 59' ' ' ALA . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HD2' HD11 ' A' ' 63' ' ' LEU . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 54.54 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.682 ' NE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.908 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 65.51 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 64.34 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 52.35 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 70.51 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 63.45 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.32 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.557 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 61.41 110.863 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.581 ' C ' HD11 ' A' ' 27' ' ' LEU . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.21 110.926 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.639 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.1 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.682 HD12 ' NE2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 62.15 110.95 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 54.21 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.15 111.143 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.32 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HD2' HG22 ' A' ' 68' ' ' THR . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.893 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.661 HG11 ' OG ' ' A' ' 2' ' ' SER . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.12 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.43 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.74 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 72.53 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.34 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.872 0.367 . . . . 70.53 110.867 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.23 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 23.35 111.114 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 72.03 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 17' ' ' THR . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 33.11 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 50.12 111.147 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 63.31 111.109 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 54.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 50.32 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.14 110.878 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CD1' HG11 ' A' ' 13' ' ' VAL . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.2 110.906 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 63' ' ' LEU . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 34.22 111.069 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 64.04 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 64.23 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 44.12 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 53.55 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.05 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 71.11 110.88 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.513 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.02 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 54.55 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 70.32 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 43.54 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 55.22 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 ' HE3' ' A' ' 31' ' ' LYS . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 54.23 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.503 ' HE2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 72' ' ' LYS . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 52.24 111.138 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 62.52 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 22.32 111.113 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD2' HG22 ' A' ' 68' ' ' THR . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.13 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.895 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.76 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.932 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.933 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 44.22 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 64.52 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.7 OUTLIER . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.845 0.355 . . . . 74.13 110.845 . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 51.4 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 62.3 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' PHE . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.14 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.1 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 34.42 111.08 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 63.13 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 59' ' ' ALA . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.935 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 54.34 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 65.04 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HD12 ' A' ' 63' ' ' LEU . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 68' ' ' THR . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.15 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 70.44 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 55.15 110.893 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.22 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 61.24 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 54.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 62.11 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.439 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 51.05 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 70.22 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CD ' ' A' ' 31' ' ' LYS . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.879 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 64.22 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 72' ' ' LYS . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 65.03 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.21 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 61.44 111.056 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.771 ' HD2' HG22 ' A' ' 68' ' ' THR . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 2' ' ' SER . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 61.15 111.114 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.67 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 82' ' ' LEU . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 65.4 111.119 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 61.41 110.937 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 73.21 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 54.51 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.731 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 71.03 110.941 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 CA--C 1.527 0.066 0 CA-C-O 120.888 0.375 . . . . 75.11 110.84 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.31 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 70.12 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.605 HG11 ' CD2' ' A' ' 29' ' ' PHE . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 41.42 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.13 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 54.12 111.101 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 64.42 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 63.03 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.486 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.04 110.913 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HD2' HD11 ' A' ' 63' ' ' LEU . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . 0.49 ' OE1' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 52.42 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 62.05 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 64.41 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 73.51 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.521 ' H ' HD13 ' A' ' 49' ' ' LEU . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.8 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 110.941 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.02 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.1 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 71.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 31' ' ' LYS . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.48 ' CE ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 73.44 110.888 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.701 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 45.22 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 41.24 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HD2' HG22 ' A' ' 68' ' ' THR . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 43.12 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.167 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.12 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 82' ' ' LEU . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.24 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.938 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.9 OUTLIER . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.895 0.378 . . . . 71.25 110.887 . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 54.24 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.868 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' THR . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 70.14 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.76 HG22 ' H ' ' A' ' 18' ' ' THR . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 55.41 111.174 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' VAL . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 61.14 111.176 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . 0.76 ' H ' HG22 ' A' ' 16' ' ' THR . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 34.44 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' CB ' ' A' ' 59' ' ' ALA . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 60.31 110.854 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HE3' HD21 ' A' ' 63' ' ' LEU . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 53.11 110.895 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 64.13 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.34 111.131 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 70.42 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 71.22 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 52.01 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 64.41 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.532 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.925 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.551 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 55.23 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 51.31 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 70.22 111.159 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.14 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 64.32 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 70.53 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.736 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.14 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 55.04 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.736 ' HD2' HG22 ' A' ' 68' ' ' THR . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.912 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HH ' ' HD1' ' A' ' 29' ' ' PHE . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.31 110.923 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 2' ' ' SER . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.12 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.914 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 61.1 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.863 0.363 . . . . 74.42 110.84 . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 52.51 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 61.44 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.11 111.061 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 54.51 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.52 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.828 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.649 ' HE3' HD21 ' A' ' 63' ' ' LEU . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 54.24 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 61.23 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 62.11 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 54.1 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 64.22 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.449 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.508 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.884 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.875 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.2 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 27' ' ' LEU . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.879 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 44.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . 0.493 ' ND2' ' HE ' ' A' ' 64' ' ' ARG . 2.4 t30 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 45.13 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.649 HD21 ' HE3' ' A' ' 31' ' ' LYS . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.929 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HE ' ' ND2' ' A' ' 61' ' ' ASN . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.4 110.885 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 52.33 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.477 ' CE ' HD23 ' A' ' 63' ' ' LEU . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 61.03 110.883 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 45.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.726 HG22 ' HD2' ' A' ' 72' ' ' LYS . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.096 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.43 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 34.43 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.726 ' HD2' HG22 ' A' ' 68' ' ' THR . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 2' ' ' SER . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 63.51 111.155 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 65.04 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 82' ' ' LEU . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 78' ' ' LEU . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 50.4 111.128 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 45.3 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.712 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 63.12 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 76' ' ' VAL . 36.0 m . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.889 0.376 . . . . 54.1 110.839 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.14 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.11 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 6' ' ' PHE . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 53.14 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 17' ' ' THR . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 71.35 111.115 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 63.34 111.139 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 35.34 111.126 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 55.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 63.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 59' ' ' ALA . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.886 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 64.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 70.43 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.089 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 51.1 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 43.52 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 62.04 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 64.45 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 61.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 62.14 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.558 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 65.34 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.516 ' N ' HD22 ' A' ' 49' ' ' LEU . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 55.14 110.967 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.31 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 61.32 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.32 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 66' ' ' MET . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 52.31 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.636 ' HE2' HD23 ' A' ' 63' ' ' LEU . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 62.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.11 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 63.52 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.943 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.514 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.119 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.88 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.155 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.907 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.14 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 54.01 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.884 0.373 . . . . 73.32 110.829 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 63.14 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 64.33 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.03 111.08 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 54.2 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 17' ' ' THR . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 52.12 111.138 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 42.15 111.121 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 41.4 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 64.4 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 63.53 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.44 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.484 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 65.15 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CD ' HD11 ' A' ' 63' ' ' LEU . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 70.5 110.856 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.02 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 55.44 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 53.34 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 62.01 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 72.21 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 72.34 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 72.23 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 72.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 51.53 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HG3' HD11 ' A' ' 27' ' ' LEU . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.886 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 64.42 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 31' ' ' LYS . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.909 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.13 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 65.34 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 61.15 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.45 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 34.31 111.072 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 ' CH2' ' A' ' 86' ' ' TRP . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 52.24 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.144 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 62.41 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.51 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.654 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 76' ' ' VAL . 44.2 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.869 0.366 . . . . 72.02 110.847 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 62.14 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' THR . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 72.45 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 63.33 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 16' ' ' THR . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 61.31 111.182 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 62.43 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 70.13 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' HD23 ' A' ' 82' ' ' LEU . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.911 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE3' HD21 ' A' ' 63' ' ' LEU . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 64.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 63.41 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 41.31 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 55.1 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 42.12 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 52.25 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 74.31 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 63.41 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 53.52 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 55.33 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 70.11 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 49' ' ' LEU . 17.3 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . 0.57 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' HD21 ' A' ' 27' ' ' LEU . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.55 HD23 ' CE ' ' A' ' 66' ' ' MET . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 61.43 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.55 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.644 HG22 ' HD2' ' A' ' 72' ' ' LYS . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 70.23 111.174 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 51.34 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.644 ' HD2' HG22 ' A' ' 68' ' ' THR . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.893 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 61.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 52.35 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 2' ' ' SER . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 50.13 111.152 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.625 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.971 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.934 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 62.14 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.645 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 51.31 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.912 0.387 . . . . 71.42 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 33.12 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.901 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.068 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' PHE . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 74.54 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.12 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 29' ' ' PHE . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 71.33 111.072 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 64.2 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 52.23 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 61.11 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.914 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 13' ' ' VAL . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 63' ' ' LEU . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 60.32 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.01 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 73.04 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 63.31 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 64.2 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 60.53 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 27' ' ' LEU . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.33 110.932 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 61.4 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' MET . . . . . 0.438 ' CE ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' THR . . . . . 0.76 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 65.32 111.152 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.2 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HD2' HG22 ' A' ' 68' ' ' THR . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 60.51 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' TYR . . . . . 0.438 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 82' ' ' LEU . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 61.24 110.909 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' TRP . . . . . 0.689 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.899 -179.976 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 5.5 ptp . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.786 0.327 . . . . 62.34 110.911 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.661 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.4 OUTLIER -106.66 19.8 19.94 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.273 -0.422 . . . . 73.32 110.815 -179.791 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.12 -23.13 18.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.458 . . . . 41.1 111.11 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -93.99 -27.41 16.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.226 -0.443 . . . . 54.14 110.865 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 59.8 m-20 -78.12 -5.29 51.16 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.21 -0.45 . . . . 62.23 110.904 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.474 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.0 p90 -52.73 -29.57 27.73 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.182 -0.463 . . . . 75.03 110.86 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -54.12 -56.08 21.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 74.54 110.894 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.38 -16.35 60.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.177 -0.465 . . . . 70.14 111.129 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.74 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.85 -50.08 9.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.249 -0.432 . . . . 65.24 111.089 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.474 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.5 t -63.77 -32.2 56.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.271 -0.422 . . . . 73.43 111.122 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 33.2 mmtt -73.33 -27.68 61.65 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 54.43 110.9 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.3 t80 -81.71 -26.15 34.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 70.01 110.924 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.572 HG11 ' CD1' ' A' ' 29' ' ' PHE . 54.4 t -93.67 -29.48 4.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 71.22 111.142 179.92 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 21.3 t -81.48 -31.2 33.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.133 -0.485 . . . . 72.45 110.847 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 66.9 m-20 -95.22 -44.22 7.72 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.127 -0.488 . . . . 54.0 110.86 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.415 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -107.12 118.85 37.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.464 . . . . 74.25 111.171 179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.455 HG22 ' O ' ' A' ' 13' ' ' VAL . 18.2 p -135.04 7.82 3.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 70.41 111.153 -179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.3 t -82.68 -10.95 58.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 63.23 111.168 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.83 152.97 30.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 64.21 110.916 179.901 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.1 mmm -61.01 98.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.253 -0.43 . . . . 75.11 110.891 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.506 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -125.05 147.19 49.09 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 51.1 111.07 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 4.4 t -83.12 -171.91 3.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 72.23 110.857 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -91.22 -25.35 19.56 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.103 -0.498 . . . . 73.12 110.843 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -93.15 -24.34 18.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.454 . . . . 74.31 110.877 179.948 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 74.3 m-20 -71.85 -38.16 70.13 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 64.43 110.868 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.06 -14.08 61.11 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.19 -0.459 . . . . 73.33 110.945 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.639 HD21 ' CB ' ' A' ' 59' ' ' ALA . 7.1 tt -92.38 -9.62 41.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 53.14 110.885 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 66.8 m -80.3 -50.09 10.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.225 -0.443 . . . . 72.54 110.909 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.572 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.5 p90 -67.4 -13.21 61.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 75.13 110.879 -179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -83.84 -37.76 22.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.13 -0.486 . . . . 74.4 110.892 -179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.664 ' HD2' HD11 ' A' ' 63' ' ' LEU . 36.3 pttt -78.66 -21.63 48.03 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 54.54 110.908 179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.401 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -75.63 -43.94 45.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.218 -0.446 . . . . 64.05 110.904 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 31.3 t80 -63.25 -25.27 68.25 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.117 -0.492 . . . . 74.3 110.927 -179.89 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.5 mmmt -84.66 -41.92 15.85 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 74.14 110.877 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.682 ' NE2' HD12 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -72.42 -32.29 66.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.253 -0.43 . . . . 72.12 110.908 179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.673 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.59 0.05 40.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.214 -0.448 . . . . 74.15 111.077 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.8 m -117.94 -52.93 2.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 65.51 111.117 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 60.7 t -93.59 -63.34 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.249 -0.432 . . . . 64.34 111.083 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 137.6 -44.89 1.1 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.691 -0.766 . . . . 52.35 112.448 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.5 p-10 -151.51 163.61 38.63 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.785 0.326 . . . . 74.11 110.874 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.4 t -79.31 136.39 37.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.23 -0.441 . . . . 72.31 110.916 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 16.2 m-80 -151.21 41.49 0.73 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.206 -0.452 . . . . 52.52 110.877 -179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.6 mmpt? -114.16 156.35 44.3 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.549 0.69 . . . . 72.13 110.908 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.68 152.14 69.67 Favored 'Trans proline' 0 C--N 1.341 0.146 0 C-N-CA 122.703 2.269 . . . . 70.51 112.321 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.3 tptp -54.15 136.09 58.83 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.551 0.691 . . . . 63.45 110.912 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 -164.6 0.13 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.681 2.254 . . . . 65.32 112.31 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.25 -176.83 0.28 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.705 -0.76 . . . . 75.35 112.504 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.557 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -126.25 14.56 7.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.757 0.313 . . . . 61.41 110.863 -179.971 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.653 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.19 -2.49 7.59 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.241 -0.436 . . . . 62.14 110.933 179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 2.0 mt-30 -108.37 144.61 35.69 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.177 -0.465 . . . . 72.53 110.906 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 5.1 mp -94.13 -50.17 5.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.955 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.25 -42.24 40.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 74.45 110.878 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 23.5 pt-20 -48.24 -44.86 33.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.53 110.898 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -60.21 -40.28 89.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.116 -0.493 . . . . 72.03 110.925 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.581 ' C ' HD11 ' A' ' 27' ' ' LEU . 10.8 m-85 -69.79 -31.54 69.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.176 -0.465 . . . . 71.21 110.926 -179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -83.06 -22.56 33.46 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.094 -0.503 . . . . 72.24 110.893 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.4 t90 -91.11 -30.69 16.58 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.246 -0.434 . . . . 71.41 110.887 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.3 mm-40 -79.73 -38.23 33.8 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.257 -0.429 . . . . 73.21 110.862 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.639 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -64.93 -54.76 25.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.12 111.124 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 12.5 t90 -57.99 -29.08 64.96 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 73.53 110.933 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -88.03 -16.97 32.2 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.264 -0.426 . . . . 63.21 110.899 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -72.85 -36.56 67.46 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.156 -0.474 . . . . 62.1 111.104 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.682 HD12 ' NE2' ' A' ' 35' ' ' GLN . 0.7 OUTLIER -96.9 21.48 9.57 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 62.15 110.95 179.982 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -56.52 118.69 5.07 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 74.42 110.905 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 110.12 -14.89 30.98 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.775 -0.726 . . . . 64.33 112.475 -179.936 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.5 ttp -53.61 154.27 3.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.76 0.314 . . . . 64.43 110.856 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 6.0 m -88.84 178.72 6.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.22 -0.445 . . . . 54.21 110.854 -179.839 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.581 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.0 m -72.66 -46.99 51.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.118 -0.492 . . . . 61.15 111.143 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -71.37 -27.72 63.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 71.24 110.906 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 5.3 m -63.34 -45.87 89.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.143 -0.48 . . . . 53.32 110.862 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.673 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -68.89 -51.32 41.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 71.54 111.158 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.581 ' HD2' HG22 ' A' ' 68' ' ' THR . 12.1 mttp -55.85 -31.29 62.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 72.44 110.893 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 13.6 mt-10 -70.24 -22.78 62.86 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.196 -0.456 . . . . 51.41 110.871 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.401 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.21 -24.95 22.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 74.35 111.072 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.414 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 3.0 t80 -69.59 -22.66 63.5 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.245 -0.434 . . . . 72.44 110.931 -179.891 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.661 HG11 ' OG ' ' A' ' 2' ' ' SER . 87.4 t -88.87 -36.29 8.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.44 111.113 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 30.6 mttp -80.99 -31.16 34.81 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.94 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.644 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -79.92 -47.13 15.54 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 74.13 110.907 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.779 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.4 tp -52.83 -24.43 8.97 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.233 -0.44 . . . . 74.2 110.851 179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.9 t70 -60.64 -25.57 66.4 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.227 -0.442 . . . . 74.43 110.854 179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.644 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.8 t -81.53 -25.79 35.62 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.185 -0.461 . . . . 65.14 111.12 -179.853 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.779 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.16 -56.2 3.37 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 63.54 110.903 179.95 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.15 81.1 12.91 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.531 0.681 . . . . 74.34 111.081 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 -6.0 17.52 Favored 'Trans proline' 0 C--O 1.231 0.158 0 C-N-CA 122.684 2.256 . . . . 75.43 112.338 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.0 m -74.76 -4.47 37.77 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.25 -0.432 . . . . 75.23 110.833 -179.814 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.74 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.6 p-90 -83.56 -28.34 28.65 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.14 -0.482 . . . . 74.23 110.898 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -88.65 -23.99 22.9 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.251 -0.431 . . . . 72.53 110.833 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.2 p30 . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.214 -0.448 . . . . 54.34 110.889 -179.947 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 8.8 tpp . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.776 0.322 . . . . 74.12 110.915 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.3 p -56.0 -26.12 47.21 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 70.53 110.867 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.01 -27.8 67.72 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.116 -0.493 . . . . 72.33 111.111 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -93.93 -24.87 17.52 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.201 -0.454 . . . . 64.23 110.836 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -81.68 -4.56 56.53 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.214 -0.448 . . . . 72.41 110.847 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.4 p90 -51.94 -30.58 25.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 63.11 110.894 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -52.45 -46.36 66.43 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.132 -0.486 . . . . 74.21 110.906 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -69.96 -19.71 63.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.202 -0.454 . . . . 53.41 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.598 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -79.83 -50.02 11.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.225 -0.443 . . . . 23.35 111.114 179.91 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 21.4 t -62.75 -31.85 53.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 72.03 111.127 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 19.5 mmmt -74.74 -37.61 62.46 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.138 -0.483 . . . . 62.41 110.904 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.8 t80 -70.21 -25.39 63.39 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 63.21 110.88 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.73 ' O ' HG23 ' A' ' 17' ' ' THR . 61.8 t -93.7 -36.89 7.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.177 -0.465 . . . . 74.32 111.137 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 34.1 m -74.1 -38.74 63.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 72.25 110.871 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 -85.31 -27.55 25.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.14 -0.482 . . . . 54.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -131.42 118.36 20.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.148 -0.478 . . . . 33.11 111.185 -179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.73 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -135.16 7.28 3.39 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 50.12 111.147 -179.94 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 35.1 p -82.19 -13.27 57.4 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.177 -0.465 . . . . 72.12 111.147 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -58.06 162.81 3.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.84 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 6.4 ttm -63.45 98.15 0.16 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.211 -0.449 . . . . 73.33 110.88 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.444 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -122.51 149.95 43.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.427 . . . . 63.31 111.109 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.3 t -99.11 156.02 17.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 73.25 110.811 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 26.8 t30 -60.55 -20.46 60.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.09 -0.505 . . . . 54.24 110.918 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -94.95 -29.1 14.82 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.182 -0.463 . . . . 50.32 110.888 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 88.4 m-20 -75.77 -37.5 59.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 61.12 110.831 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.7 mtmm -66.4 -14.06 61.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.31 110.913 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.501 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -92.34 -9.36 42.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 71.14 110.878 179.928 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 72.2 m -84.0 -51.34 7.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.858 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.665 ' CD1' HG11 ' A' ' 13' ' ' VAL . 5.7 p90 -66.9 -13.87 62.16 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 62.2 110.906 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.46 -35.85 27.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.124 -0.489 . . . . 73.35 110.911 -179.846 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.605 ' HE3' HD21 ' A' ' 63' ' ' LEU . 31.9 pttt -82.86 -25.56 32.44 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.148 -0.478 . . . . 72.55 110.909 179.879 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.412 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 21.3 m-85 -70.15 -41.47 73.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 74.11 110.874 -179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 46.5 t80 -67.65 -22.99 65.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 74.33 110.904 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 17.9 mmmt -85.47 -39.85 17.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.144 -0.48 . . . . 74.35 110.926 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -78.35 -31.7 48.72 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 64.05 110.927 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.49 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -81.68 -9.06 59.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 34.22 111.069 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 95.9 m -112.06 -52.8 2.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.436 . . . . 75.42 111.155 -179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 66.8 t -87.19 -66.59 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.202 -0.454 . . . . 73.44 111.139 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 144.79 -51.92 0.61 Allowed Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.718 -0.753 . . . . 64.04 112.453 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -153.35 165.64 35.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.323 . . . . 71.4 110.848 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 36.3 t -81.15 141.52 34.15 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.184 -0.462 . . . . 73.3 110.913 -179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.4 p30 -162.26 35.83 0.12 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.2 -0.454 . . . . 62.0 110.9 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 43.4 mmtt -107.95 156.41 38.27 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.633 0.73 . . . . 64.23 110.909 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 153.12 69.37 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.718 2.278 . . . . 44.12 112.299 179.917 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.0 tptp -57.47 136.0 81.94 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.575 0.703 . . . . 53.55 110.878 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 -165.11 0.14 Allowed 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 2.253 . . . . 62.05 112.378 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.1 -178.78 0.2 Allowed Glycine 0 N--CA 1.452 -0.247 0 C-N-CA 120.702 -0.761 . . . . 63.32 112.455 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -122.78 17.38 10.25 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.781 0.324 . . . . 71.11 110.88 -179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.664 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.75 -2.56 7.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 64.54 110.912 -179.961 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.513 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.47 144.95 30.27 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.02 110.937 179.926 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.7 mt -92.03 -57.72 2.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 54.55 110.927 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -51.73 -36.26 46.39 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 74.54 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -49.82 -38.49 34.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.26 -0.427 . . . . 73.22 110.915 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -67.77 -45.45 74.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.48 . . . . 65.34 110.932 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.9 m-85 -66.45 -37.34 84.94 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.186 -0.461 . . . . 71.43 110.93 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 39.9 mtpt -74.02 -25.1 59.69 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.157 -0.474 . . . . 73.35 110.892 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 9.8 t90 -90.0 -24.58 21.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 63.12 110.888 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.0 mm-40 -85.51 -34.63 21.51 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.234 -0.439 . . . . 63.31 110.867 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.501 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -69.37 -46.34 67.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.148 -0.478 . . . . 70.32 111.134 179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.7 t90 -64.52 -26.12 68.29 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.199 -0.455 . . . . 74.11 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.8 t30 -85.07 -29.91 24.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 43.54 110.87 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -67.21 -24.28 65.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 55.22 111.076 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.605 HD21 ' HE3' ' A' ' 31' ' ' LYS . 10.3 mp -96.7 18.34 14.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.249 -0.432 . . . . 54.23 110.917 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.2 mtp180 -60.35 129.39 41.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 54.21 110.902 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.21 -20.46 50.71 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.755 -0.736 . . . . 64.32 112.483 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.503 ' HE2' HD23 ' A' ' 63' ' ' LEU . 0.1 OUTLIER -53.3 154.43 3.29 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.762 0.315 . . . . 72.21 110.883 179.994 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 4.6 m -97.97 173.32 7.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 74.31 110.843 -179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.739 HG22 ' HD2' ' A' ' 72' ' ' LYS . 88.2 m -63.94 -49.05 74.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 52.24 111.138 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 25.7 mt-10 -69.4 -25.73 64.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.25 -0.432 . . . . 62.52 110.871 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 70.1 m -72.08 -25.73 61.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 71.31 110.87 -179.767 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.49 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -90.52 -51.53 5.36 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.093 -0.503 . . . . 22.32 111.113 179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.739 ' HD2' HG22 ' A' ' 68' ' ' THR . 28.9 mttt -50.7 -44.04 57.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.443 . . . . 73.13 110.893 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.2 pp20? -53.82 -44.0 69.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.262 -0.426 . . . . 72.13 110.882 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.412 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -67.65 -18.77 65.07 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.155 -0.475 . . . . 73.25 111.095 179.919 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.479 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.8 OUTLIER -77.25 -23.22 51.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.222 -0.445 . . . . 71.51 110.895 -179.807 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . . . . . . . . . 70.9 t -91.5 -25.88 5.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 52.43 111.101 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 12.0 mmmt -89.79 -42.41 11.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 71.12 110.875 179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.621 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -70.01 -45.14 67.86 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.258 -0.428 . . . . 75.32 110.915 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.76 ' HA ' HD12 ' A' ' 82' ' ' LEU . 13.7 tp -53.39 -25.69 16.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.455 . . . . 74.42 110.932 179.881 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 36.7 t70 -61.76 -23.83 66.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.219 -0.446 . . . . 64.2 110.88 179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.621 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -83.21 -25.12 32.04 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 70.3 111.139 -179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.76 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -89.47 -54.94 3.85 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 72.25 110.933 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -144.3 81.81 11.12 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.583 0.706 . . . . 44.22 111.124 179.741 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -6.63 19.05 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.691 2.261 . . . . 73.1 112.35 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 7.8 t -73.23 -7.25 50.69 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.897 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.598 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -81.54 -26.87 34.71 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.125 -0.488 . . . . 64.52 110.915 179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.9 ptp180 -92.6 -28.7 16.56 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.258 -0.428 . . . . 73.52 110.921 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.161 -0.472 . . . . 75.32 110.838 -179.907 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.7 mpp? . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.76 0.315 . . . . 73.53 110.847 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.485 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.7 OUTLIER -52.76 -42.8 65.3 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.455 . . . . 74.13 110.845 -179.821 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.34 -28.75 44.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.12 -0.491 . . . . 51.4 111.132 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -94.13 -25.63 17.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.216 -0.447 . . . . 64.03 110.822 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 92.5 m-20 -79.17 -5.77 55.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 62.3 110.915 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.47 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.3 p90 -51.81 -30.25 22.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.491 . . . . 74.33 110.892 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -54.7 -56.25 21.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.156 -0.475 . . . . 72.24 110.871 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.24 -17.16 57.57 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 74.12 111.116 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.731 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.86 -51.28 8.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.189 -0.46 . . . . 74.24 111.083 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.47 HG23 ' O ' ' A' ' 6' ' ' PHE . 19.9 t -61.9 -31.41 51.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 73.21 111.155 179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 18.3 mmtm -73.65 -28.56 61.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.482 . . . . 74.3 110.918 179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.0 t80 -80.82 -25.89 37.47 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 70.23 110.864 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.543 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.3 t -93.61 -30.69 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 60.21 111.14 179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 32.0 t -79.04 -36.05 41.67 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 63.1 110.844 -179.815 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 81.4 m-20 -87.9 -45.6 10.13 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.091 -0.504 . . . . 74.24 110.871 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.11 122.67 46.37 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.11 111.094 -179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 50.1 p -139.44 20.34 2.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.193 -0.458 . . . . 73.22 111.157 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -97.57 -12.41 22.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.21 -0.45 . . . . 71.1 111.125 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.59 162.0 6.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.222 -0.445 . . . . 62.43 110.933 179.887 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 9.4 ttt -64.09 98.4 0.22 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.251 -0.431 . . . . 75.1 110.934 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.414 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -123.63 155.94 36.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.285 -0.416 . . . . 34.42 111.08 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.9 t -107.32 150.29 26.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 75.12 110.85 -179.795 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 10.6 t30 -53.17 -28.7 27.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.479 . . . . 63.13 110.859 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -87.99 -33.61 18.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 72.44 110.835 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.466 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.0 OUTLIER -69.62 -43.73 72.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 179.987 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.414 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 18.8 mtmm -62.66 -16.56 57.57 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.162 -0.472 . . . . 72.22 110.906 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.489 HD21 ' HB2' ' A' ' 59' ' ' ALA . 6.9 tt -88.91 -9.53 51.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.31 110.935 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 74.5 m -78.13 -47.14 18.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.54 110.91 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.543 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.3 p90 -72.61 -13.29 61.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.165 -0.47 . . . . 75.54 110.896 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.42 -29.33 41.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.154 -0.475 . . . . 74.14 110.919 -179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.58 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 40.7 pttt -90.76 -20.69 22.12 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.108 -0.496 . . . . 54.34 110.873 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.2 m-85 -74.43 -39.84 62.34 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.277 -0.42 . . . . 74.15 110.922 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.4 t80 -66.59 -24.53 66.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.109 -0.496 . . . . 65.04 110.928 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.5 mmmt -88.81 -36.81 15.84 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.134 -0.485 . . . . 74.25 110.917 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.456 ' HG3' HD12 ' A' ' 63' ' ' LEU . 44.8 mm-40 -77.31 -30.4 54.09 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 74.52 110.927 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.484 ' O ' HG23 ' A' ' 68' ' ' THR . . . -84.37 -7.9 59.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 65.15 111.117 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.1 m -111.32 -53.08 2.74 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.189 -0.46 . . . . 70.44 111.119 -179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -83.74 -66.16 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 64.33 111.136 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 136.39 -36.68 1.97 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.75 -0.738 . . . . 70.22 112.509 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -158.45 158.9 35.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.86 0.362 . . . . 73.25 110.829 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 50.0 t -72.99 145.61 46.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 70.44 110.878 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 10.3 p30 -170.82 64.16 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 55.15 110.893 -179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 3.0 mtmt -135.66 159.84 69.92 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.563 0.697 . . . . 72.22 110.883 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 151.33 68.81 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.672 2.248 . . . . 72.05 112.32 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 18.8 tptp -63.17 135.17 96.11 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.577 0.704 . . . . 61.24 110.899 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.81 -165.41 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.635 2.223 . . . . 74.13 112.356 179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -64.44 -151.2 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.698 -0.763 . . . . 73.02 112.474 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 7.2 ttt -137.17 -37.24 0.64 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.805 0.336 . . . . 54.24 110.904 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.774 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.07 -8.53 31.18 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.235 -0.439 . . . . 62.11 110.946 179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.439 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.88 139.03 36.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.175 -0.466 . . . . 61.03 110.915 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.37 -56.88 2.88 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 51.05 110.874 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.565 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.59 -35.08 39.89 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 73.5 110.919 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.5 pt-20 -48.5 -39.2 22.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.229 -0.441 . . . . 62.32 110.905 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.54 -43.49 69.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.155 -0.475 . . . . 74.05 110.85 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 7.8 m-85 -66.81 -27.1 67.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 73.13 110.92 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 27.1 mtpp -85.25 -23.27 28.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 73.4 110.89 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.0 t90 -91.15 -27.67 18.38 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.454 . . . . 75.1 110.937 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.7 mm-40 -84.07 -34.57 24.18 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.24 -0.437 . . . . 71.2 110.873 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.58 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -61.31 -57.37 12.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.15 -0.477 . . . . 73.43 111.128 179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.1 t90 -56.2 -35.43 67.28 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.174 -0.467 . . . . 74.12 110.887 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 5.8 t30 -76.65 -24.36 53.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.293 -0.412 . . . . 70.22 110.875 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.97 -26.67 64.21 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.197 -0.456 . . . . 74.33 111.131 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.564 HD11 ' CD ' ' A' ' 31' ' ' LYS . 4.6 mt -98.01 25.42 6.06 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 71.4 110.879 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.9 mtp180 -61.47 130.62 46.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.23 -0.441 . . . . 73.14 110.86 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 94.32 -20.29 48.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.753 -0.737 . . . . 75.14 112.497 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 5.2 ttp -52.55 153.68 2.96 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 73.45 110.877 -179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 7.8 m -98.85 178.87 4.83 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.261 -0.427 . . . . 64.22 110.849 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.771 HG22 ' HD2' ' A' ' 72' ' ' LYS . 34.4 m -71.12 -48.66 50.87 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.114 -0.494 . . . . 50.4 111.13 -179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.3 mt-10 -63.39 -33.32 75.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.255 -0.43 . . . . 65.03 110.906 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.9 m -67.01 -42.5 84.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.123 -0.489 . . . . 72.21 110.864 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -69.89 -51.32 34.09 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 61.44 111.056 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.771 ' HD2' HG22 ' A' ' 68' ' ' THR . 35.6 mttt -55.07 -37.62 67.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 71.33 110.914 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 5.5 mt-10 -64.53 -22.17 66.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 53.01 110.879 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.87 -27.73 23.27 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 54.41 111.099 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.437 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.3 t80 -69.94 -22.23 63.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.2 -0.454 . . . . 73.44 110.883 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG21 ' HB3' ' A' ' 2' ' ' SER . 87.5 t -88.73 -37.62 10.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.122 -0.49 . . . . 61.15 111.114 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 35.2 mttt -79.29 -36.14 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 75.04 110.937 179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.67 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -74.13 -49.01 25.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.459 . . . . 75.24 110.896 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.709 ' HA ' HD12 ' A' ' 82' ' ' LEU . 17.8 tp -53.66 -23.88 12.66 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.191 -0.459 . . . . 74.2 110.878 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -61.47 -25.8 67.48 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.224 -0.444 . . . . 74.03 110.887 179.808 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.67 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -83.63 -23.37 31.88 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.189 -0.459 . . . . 65.4 111.119 -179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.709 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.9 mt -89.97 -56.7 3.13 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.266 -0.425 . . . . 61.41 110.937 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.82 81.99 14.2 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.598 0.713 . . . . 73.21 111.104 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -5.34 15.97 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.653 2.236 . . . . 54.51 112.384 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 53.6 m -74.68 -5.05 40.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.193 -0.458 . . . . 73.01 110.881 -179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.731 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.4 p-90 -84.72 -27.56 26.91 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.145 -0.479 . . . . 71.03 110.941 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.7 ptp180 -89.62 -31.69 17.44 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 74.41 110.874 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.7 p30 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.31 110.902 -179.951 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ptp . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.811 0.339 . . . . 64.44 110.873 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.417 ' O ' HG21 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -57.78 -24.77 58.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.193 -0.458 . . . . 75.11 110.84 -179.75 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -65.71 -30.14 70.78 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.495 . . . . 62.31 111.101 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -94.06 -25.04 17.36 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.219 -0.446 . . . . 71.33 110.893 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 27.3 t0 -80.28 -5.19 55.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 70.51 110.881 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . . . . . . . . . 2.5 p90 -51.53 -30.34 20.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.202 -0.454 . . . . 64.45 110.867 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -54.91 -47.07 74.84 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.14 -0.482 . . . . 74.45 110.885 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.456 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -72.7 -8.72 56.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 62.22 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.89 -38.8 11.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 74.43 111.102 179.877 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . . . . . . . . . 60.5 t -69.78 -27.55 33.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.256 -0.429 . . . . 70.12 111.16 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.456 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.26 -47.93 46.48 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.149 -0.478 . . . . 74.13 110.892 179.891 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -62.47 -24.52 67.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 74.44 110.934 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.605 HG11 ' CD2' ' A' ' 29' ' ' PHE . 55.7 t -93.46 -32.01 4.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 72.21 111.131 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.3 t -76.79 -36.33 57.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 64.34 110.891 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 55.0 m-20 -90.05 -47.22 7.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.138 -0.483 . . . . 73.43 110.898 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.38 124.37 49.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.15 -0.477 . . . . 41.42 111.083 -179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.518 HG23 ' O ' ' A' ' 13' ' ' VAL . 1.1 p -140.12 11.71 2.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.15 111.141 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -88.05 -12.32 44.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 75.03 111.159 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.51 161.48 1.98 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 62.43 110.843 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 12.1 tpt -65.23 98.38 0.32 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.165 -0.471 . . . . 64.13 110.869 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.483 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -122.28 157.17 32.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.246 -0.434 . . . . 54.12 111.101 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -110.6 157.24 19.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 75.54 110.85 -179.771 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 24.2 t-20 -57.29 -24.06 52.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.1 -0.5 . . . . 64.42 110.89 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -95.16 -24.87 16.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.132 -0.486 . . . . 63.03 110.825 179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.486 ' OD2' HG21 ' A' ' 81' ' ' THR . 1.3 t70 -79.27 -41.92 27.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 71.35 110.879 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.483 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 24.2 mtmm -63.75 -15.84 59.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.01 110.894 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' CB ' ' A' ' 59' ' ' ALA . 0.8 OUTLIER -90.37 -9.3 48.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.456 . . . . 70.04 110.913 179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 95.2 m -77.57 -50.07 13.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.179 -0.464 . . . . 71.41 110.901 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.605 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.9 p90 -67.47 -13.45 62.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 71.1 110.867 -179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -82.76 -38.1 23.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.149 -0.478 . . . . 74.24 110.921 -179.861 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.644 ' HD2' HD11 ' A' ' 63' ' ' LEU . 33.6 pttt -78.79 -26.27 44.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 75.23 110.898 179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.9 m-85 -70.13 -42.91 71.97 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 75.11 110.937 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.4 t80 -65.49 -24.08 67.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.081 -0.509 . . . . 72.55 110.915 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 20.1 mmmt -82.74 -45.45 14.39 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 73.45 110.895 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . 0.49 ' OE1' HD12 ' A' ' 63' ' ' LEU . 0.8 OUTLIER -73.15 -29.69 63.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.271 -0.422 . . . . 74.52 110.907 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.451 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -82.27 -0.0 43.45 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.237 -0.438 . . . . 72.23 111.104 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.6 m -120.44 -53.17 2.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 73.02 111.097 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 97.4 t -89.02 -65.69 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 74.21 111.105 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.32 -51.86 0.69 Allowed Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.745 -0.741 . . . . 52.42 112.497 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -148.13 159.74 43.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 75.45 110.859 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 37.9 t -76.72 141.85 40.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.235 -0.438 . . . . 72.11 110.895 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 8.2 p30 -162.21 51.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 65.42 110.862 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 11.5 mmtt -123.91 156.48 65.52 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.598 0.714 . . . . 62.05 110.869 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 150.62 68.71 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.704 2.27 . . . . 74.04 112.367 179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.2 tppp? -57.27 135.92 81.19 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.549 0.69 . . . . 64.41 110.903 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -165.78 0.17 Allowed 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.64 2.227 . . . . 73.51 112.336 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.76 -178.18 0.28 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 72.12 112.509 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.521 ' H ' HD13 ' A' ' 49' ' ' LEU . 2.2 mtt -123.0 17.47 10.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.786 0.327 . . . . 74.13 110.822 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.655 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.59 -2.34 7.36 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.291 -0.413 . . . . 70.0 110.928 179.987 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -102.31 145.59 29.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 75.12 110.874 179.938 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.27 -56.84 2.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.16 -0.473 . . . . 64.04 110.93 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.563 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.8 mp0 -53.04 -36.01 60.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.162 -0.472 . . . . 62.44 110.941 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -49.21 -38.93 27.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 74.24 110.893 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.58 -40.4 76.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 63.02 110.877 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 12.7 m-85 -69.6 -36.93 76.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 71.14 110.896 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 3.3 mtpm? -76.15 -22.93 54.85 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.137 -0.483 . . . . 72.45 110.923 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 7.0 t90 -91.2 -30.38 16.69 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.189 -0.459 . . . . 64.33 110.939 179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.4 mm-40 -79.23 -37.05 39.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.257 -0.429 . . . . 64.11 110.866 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.425 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -65.81 -54.47 26.43 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.133 -0.485 . . . . 63.21 111.1 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.2 t90 -59.46 -31.54 69.41 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.55 110.894 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 8.0 t30 -88.15 -10.18 50.79 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.438 . . . . 71.32 110.904 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -81.12 -29.07 34.9 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.164 -0.471 . . . . 74.35 111.1 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.644 HD11 ' HD2' ' A' ' 31' ' ' LYS . 4.7 mt -96.96 30.69 2.61 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.237 -0.438 . . . . 62.42 110.935 -179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 61.1 mtm180 -62.51 120.2 10.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 73.21 110.911 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.81 -15.54 40.76 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.733 -0.746 . . . . 53.25 112.478 -179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.48 ' CE ' HD13 ' A' ' 63' ' ' LEU . 0.2 OUTLIER -56.68 154.11 9.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.763 0.316 . . . . 73.44 110.888 -179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.2 m -99.02 171.63 7.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 64.14 110.862 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.701 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.6 m -63.23 -51.08 67.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.03 111.168 -179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.8 mm-40 -64.95 -31.0 72.03 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.51 110.902 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.9 t -63.96 -41.29 97.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 45.22 110.843 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.451 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -71.19 -52.11 20.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 41.24 111.081 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.701 ' HD2' HG22 ' A' ' 68' ' ' THR . 8.4 mttp -55.96 -33.22 64.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 72.31 110.922 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 14.3 mt-10 -68.59 -22.18 64.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.254 -0.43 . . . . 72.12 110.866 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -89.08 -24.26 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.178 -0.465 . . . . 71.41 111.067 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -72.38 -25.9 61.69 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.448 . . . . 43.12 110.947 -179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.516 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 32.8 t -85.25 -30.93 6.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.123 -0.49 . . . . 53.43 111.167 179.881 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.8 mmmt -86.19 -36.93 19.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 65.01 110.906 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.616 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -73.33 -45.54 54.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.207 -0.451 . . . . 61.12 110.882 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.725 ' HA ' HD12 ' A' ' 82' ' ' LEU . 18.2 tp -53.72 -24.87 16.17 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 74.24 110.904 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -62.52 -25.48 68.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.182 -0.463 . . . . 73.03 110.906 179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.616 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.6 t -80.95 -26.12 36.89 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 62.24 111.124 -179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.725 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.2 mt -88.01 -57.38 2.95 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.449 . . . . 75.31 110.938 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -143.21 82.88 11.45 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.575 0.702 . . . . 65.13 111.072 179.793 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 -6.3 18.29 Favored 'Trans proline' 0 C--O 1.232 0.197 0 C-N-CA 122.696 2.264 . . . . 71.22 112.334 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.3 m -72.17 -7.38 48.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 63.25 110.831 -179.842 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 2.0 p-90 -78.9 -30.09 44.68 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 71.42 110.923 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 12.9 ptp180 -90.72 -34.08 15.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 75.21 110.858 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.9 p30 . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 63.13 110.882 -179.957 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 22.3 mmt . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.772 0.32 . . . . 72.03 110.888 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.534 ' HB3' HG21 ' A' ' 76' ' ' VAL . 0.9 OUTLIER -119.06 24.96 10.5 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.24 -0.437 . . . . 71.25 110.887 -179.819 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -93.04 -28.71 16.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.088 -0.505 . . . . 64.43 111.124 179.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 12.7 t70 -94.32 -25.36 17.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 54.24 110.815 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -78.57 -5.96 54.21 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 64.11 110.863 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.482 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.63 -31.22 24.48 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 72.14 110.868 -179.89 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 -52.72 -55.81 20.07 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.145 -0.48 . . . . 75.42 110.86 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.16 -18.0 62.99 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 70.33 111.113 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.671 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.08 -49.48 11.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 53.32 111.118 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.482 HG23 ' O ' ' A' ' 6' ' ' PHE . 5.0 t -71.65 -29.54 34.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.222 -0.445 . . . . 74.11 111.102 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 15.7 mmtm -64.11 -45.71 87.41 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.456 . . . . 73.44 110.917 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 29.7 t80 -68.32 -44.7 74.81 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 71.02 110.928 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.759 ' O ' HG23 ' A' ' 17' ' ' THR . 53.0 t -66.18 -35.58 75.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.117 -0.492 . . . . 61.21 111.101 179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 23.8 m -75.27 -19.26 59.8 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 74.2 110.878 -179.831 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 72.6 m-20 -113.59 11.25 18.22 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.115 -0.493 . . . . 70.14 110.899 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.76 HG22 ' H ' ' A' ' 18' ' ' THR . 40.6 m -126.95 -79.32 0.59 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 55.41 111.174 -179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 13' ' ' VAL . 5.7 p 44.99 33.9 1.13 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 61.14 111.176 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . 0.76 ' H ' HG22 ' A' ' 16' ' ' THR . 25.4 m -127.16 -20.98 4.01 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.209 -0.451 . . . . 34.44 111.096 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -50.92 160.07 0.5 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.426 . . . . 72.2 110.904 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -76.84 98.71 4.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 71.0 110.91 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.454 ' HB3' ' HG2' ' A' ' 26' ' ' LYS . . . -135.91 156.83 48.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.258 -0.428 . . . . 62.3 111.106 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -82.27 157.84 23.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.206 -0.452 . . . . 62.54 110.867 -179.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 27.6 t-20 -53.61 -30.27 41.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 72.33 110.902 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.4 t0 -77.42 -49.83 14.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 70.24 110.87 179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -59.74 -42.95 94.31 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 72.44 110.849 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB3' ' A' ' 21' ' ' ALA . 20.3 mttt -66.29 -13.88 61.14 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.462 . . . . 75.14 110.885 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.417 HD21 ' CB ' ' A' ' 59' ' ' ALA . 5.6 tt -95.89 -9.21 31.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.255 -0.43 . . . . 74.13 110.887 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 82.9 m -75.02 -46.16 36.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.196 -0.457 . . . . 71.23 110.895 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.561 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.4 p90 -65.94 -13.9 60.6 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 60.31 110.854 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.68 -34.59 22.95 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 50.31 110.967 -179.872 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' HE3' HD21 ' A' ' 63' ' ' LEU . 28.8 pttt -83.56 -24.8 31.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.092 -0.504 . . . . 53.11 110.895 179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.429 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 16.4 m-85 -71.0 -40.84 71.59 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.21 110.917 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 37.2 t80 -65.94 -23.97 66.72 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.138 -0.483 . . . . 75.24 110.908 -179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -86.89 -40.46 14.84 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.132 -0.485 . . . . 73.24 110.883 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -75.04 -31.06 61.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.253 -0.431 . . . . 64.13 110.943 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.507 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -83.88 0.18 48.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.183 -0.462 . . . . 51.34 111.131 179.881 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.7 m -119.73 -52.86 2.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 74.23 111.132 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 87.8 t -89.5 -65.22 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.222 -0.445 . . . . 65.04 111.13 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 141.54 -47.94 0.82 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.695 -0.764 . . . . 73.21 112.475 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 3.2 p30 -155.36 158.07 38.11 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.851 0.358 . . . . 72.44 110.833 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 29.9 t -69.94 140.97 53.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 70.42 110.884 -179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 26.3 p30 -158.64 45.51 0.3 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.22 110.902 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 10.6 mmtt -123.48 155.62 65.37 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 71.22 110.89 179.946 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 156.82 62.29 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.684 2.256 . . . . 52.01 112.336 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 16.9 tptt -59.0 135.82 87.61 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.546 0.688 . . . . 74.24 110.938 179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -165.39 0.15 Allowed 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.674 2.249 . . . . 64.41 112.356 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -55.91 -177.88 0.29 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.714 -0.755 . . . . 64.21 112.51 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.532 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.3 OUTLIER -123.31 17.44 9.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.788 0.328 . . . . 74.24 110.864 -179.964 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.663 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.9 -2.46 7.16 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.268 -0.424 . . . . 75.33 110.881 -179.972 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.514 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.9 OUTLIER -102.51 145.13 30.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 70.21 110.925 179.924 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.43 -56.68 2.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 65.42 110.878 -179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.551 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -53.09 -36.15 60.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.263 -0.426 . . . . 74.04 110.923 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.2 pt-20 -48.7 -38.76 22.35 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.3 110.92 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -70.14 -44.05 69.66 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 63.23 110.902 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -67.39 -27.22 66.91 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 74.13 110.912 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 31.6 mttt -86.12 -23.22 26.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 55.23 110.913 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 10.7 t90 -91.26 -26.89 18.77 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.238 -0.437 . . . . 73.13 110.905 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -81.0 -42.12 21.66 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 51.31 110.863 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.417 ' CB ' HD21 ' A' ' 27' ' ' LEU . . . -62.89 -51.44 66.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.478 . . . . 70.22 111.159 179.925 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -58.85 -26.77 64.51 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.186 -0.461 . . . . 53.33 110.884 -179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.9 t30 -85.67 -33.09 21.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.266 -0.425 . . . . 70.44 110.922 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -65.85 -22.82 66.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.102 -0.499 . . . . 64.14 111.143 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.565 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.8 mp -95.28 8.45 43.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.182 -0.463 . . . . 74.33 110.874 -179.946 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 44.3 mtp180 -52.99 117.33 2.9 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 65.44 110.885 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 109.59 -15.94 31.78 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.79 -0.719 . . . . 64.32 112.527 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 1.2 ttp -60.21 154.36 19.97 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.831 0.348 . . . . 64.23 110.846 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -96.08 -178.68 4.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.2 -0.455 . . . . 70.53 110.853 -179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.736 HG22 ' HD2' ' A' ' 72' ' ' LYS . 91.6 m -76.75 -41.56 44.41 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 55.44 111.14 -179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.7 mt-10 -69.73 -33.53 72.61 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.173 -0.467 . . . . 64.43 110.903 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 75.3 m -64.39 -45.08 89.19 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 55.04 110.871 -179.789 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.507 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -66.36 -51.75 53.94 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.11 -0.496 . . . . 62.42 111.136 179.866 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.736 ' HD2' HG22 ' A' ' 68' ' ' THR . 13.8 mttp -56.23 -35.71 67.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.44 110.912 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 6.7 mm-40 -71.25 -18.18 62.45 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.874 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.429 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -92.31 -24.17 19.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.144 -0.48 . . . . 70.24 111.121 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.481 ' HH ' ' HD1' ' A' ' 29' ' ' PHE . 2.7 t80 -70.39 -31.72 69.08 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 61.31 110.923 -179.855 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.534 HG21 ' HB3' ' A' ' 2' ' ' SER . 91.7 t -78.91 -37.55 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.116 -0.493 . . . . 71.44 111.12 179.914 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 1.4 mmmp? -77.74 -44.6 27.21 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.212 -0.449 . . . . 74.45 110.883 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -65.11 -50.18 67.06 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 73.13 110.921 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.5 tp -52.13 -25.46 8.96 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 72.02 110.914 179.894 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 52.5 t0 -59.88 -28.5 67.6 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.207 -0.451 . . . . 74.24 110.846 179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.6 t -85.0 -20.48 30.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.255 -0.429 . . . . 75.51 111.091 -179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.7 mt -89.28 -59.08 2.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.266 -0.425 . . . . 72.22 110.888 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.14 85.3 13.98 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.595 0.712 . . . . 73.12 111.127 179.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 -6.04 17.63 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.726 2.284 . . . . 61.1 112.322 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 6.8 m -71.24 -9.0 57.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.238 -0.437 . . . . 63.43 110.869 -179.851 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.671 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 0.9 OUTLIER -86.46 -25.81 25.0 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.158 -0.474 . . . . 74.32 110.928 179.997 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 8.7 ptp180 -96.61 -28.32 14.41 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.231 -0.44 . . . . 72.44 110.87 -179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 24.1 m-80 . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.449 . . . . 74.33 110.883 -179.983 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.9 mtt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.781 0.324 . . . . 74.21 110.88 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.485 ' OG ' HG11 ' A' ' 76' ' ' VAL . 0.1 OUTLIER -55.1 -37.38 66.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 74.42 110.84 -179.779 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -61.48 -20.21 62.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.098 -0.501 . . . . 52.51 111.103 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -93.94 -25.71 17.16 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.24 -0.436 . . . . 61.03 110.835 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -83.32 -3.7 57.74 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 64.03 110.872 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.465 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.1 p90 -52.27 -29.76 24.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.175 -0.466 . . . . 75.32 110.851 -179.887 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -54.93 -55.74 27.33 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.465 . . . . 61.44 110.841 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.34 -16.95 57.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 73.33 111.075 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.712 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.42 -51.19 8.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 50.11 111.061 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.465 HG23 ' O ' ' A' ' 6' ' ' PHE . 20.1 t -62.02 -31.48 51.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 75.03 111.15 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 3.3 mmtp -73.74 -28.68 61.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 70.34 110.876 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -80.57 -26.09 38.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 73.23 110.881 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.557 HG11 ' CD1' ' A' ' 29' ' ' PHE . 53.9 t -93.54 -30.45 4.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 71.51 111.127 179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 33.5 t -78.78 -36.42 42.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 64.22 110.866 -179.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 86.5 m-20 -88.22 -45.35 10.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.144 -0.48 . . . . 73.44 110.877 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -105.76 125.24 50.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.24 -0.436 . . . . 74.42 111.121 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . . . . . . . . . 53.0 p -140.81 13.28 2.28 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.16 -0.473 . . . . 73.32 111.128 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 1.1 m -89.17 -12.12 41.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 71.24 111.16 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -61.08 161.04 9.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.237 -0.438 . . . . 54.51 110.872 179.883 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 16.1 mtm -65.32 98.51 0.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.03 110.88 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -120.71 154.2 35.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 62.41 111.086 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.83 151.32 24.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.211 -0.449 . . . . 72.21 110.895 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -56.66 -24.51 49.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 65.52 110.868 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -91.42 -30.11 16.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 74.24 110.888 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.5 m-20 -76.32 -37.12 57.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 74.21 110.868 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.1 mtmm -66.32 -14.57 62.24 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.169 -0.468 . . . . 72.31 110.906 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.525 HD11 ' HA ' ' A' ' 56' ' ' LYS . 0.5 OUTLIER -92.11 -9.47 42.43 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.265 -0.425 . . . . 74.42 110.96 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 75.2 m -78.9 -47.65 16.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.147 -0.479 . . . . 61.12 110.849 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.557 ' CD1' HG11 ' A' ' 13' ' ' VAL . 2.2 p90 -70.29 -13.0 61.98 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.232 -0.44 . . . . 72.24 110.828 -179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.74 -26.11 27.84 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.16 -0.473 . . . . 73.4 110.944 -179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.649 ' HE3' HD21 ' A' ' 63' ' ' LEU . 22.3 pttt -93.22 -15.83 25.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.086 -0.506 . . . . 73.41 110.867 179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.449 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 19.1 m-85 -79.92 -43.74 21.6 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 63.43 110.903 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 35.0 t80 -64.42 -24.6 67.68 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.129 -0.487 . . . . 61.34 110.879 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.7 mmmm -84.81 -41.9 15.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.465 . . . . 74.4 110.883 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -73.55 -28.19 61.73 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.187 -0.46 . . . . 72.11 110.896 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.531 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -85.94 -0.01 54.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.201 -0.454 . . . . 61.21 111.069 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 98.6 m -119.48 -53.02 2.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.233 -0.439 . . . . 54.24 111.154 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 99.9 t -90.08 -66.03 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.225 -0.443 . . . . 61.23 111.074 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.87 -54.01 0.65 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.768 -0.729 . . . . 75.44 112.489 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.0 p-10 -146.05 153.38 40.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.801 0.334 . . . . 62.11 110.858 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -68.68 141.7 55.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 75.11 110.9 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 4.4 p30 -156.94 49.73 0.46 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.15 110.834 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 6.3 mmtp -124.1 156.53 66.08 Favored Pre-proline 0 C--N 1.328 -0.354 0 CA-C-O 121.55 0.69 . . . . 74.42 110.918 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 152.82 69.52 Favored 'Trans proline' 0 C--O 1.232 0.196 0 C-N-CA 122.669 2.246 . . . . 75.15 112.343 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -62.25 129.14 92.02 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.595 0.712 . . . . 65.43 110.92 179.877 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -164.83 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.748 2.299 . . . . 54.1 112.338 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -49.45 166.93 0.29 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.787 -0.721 . . . . 64.22 112.454 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.449 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.0 OUTLIER -116.23 15.05 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.775 0.321 . . . . 75.22 110.863 -179.978 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.666 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.01 -2.87 7.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 70.52 110.888 -179.932 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.508 ' N ' HD22 ' A' ' 49' ' ' LEU . 0.4 OUTLIER -94.06 159.88 14.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.207 -0.451 . . . . 72.45 110.884 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . 0.483 HD22 ' H ' ' A' ' 51' ' ' LEU . 0.7 OUTLIER -93.54 -59.51 1.99 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 71.11 110.875 -179.968 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.51 -17.62 46.63 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 52.22 110.909 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -60.32 -36.94 79.1 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 62.31 110.886 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.85 -45.62 20.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.163 -0.471 . . . . 63.51 110.929 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 4.2 m-85 -65.52 -56.33 12.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.166 -0.47 . . . . 64.2 110.93 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.525 ' HA ' HD11 ' A' ' 27' ' ' LEU . 19.7 pttt -53.24 -33.15 51.8 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.118 -0.492 . . . . 72.12 110.879 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.2 t90 -85.63 -21.58 28.36 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.225 -0.443 . . . . 72.25 110.921 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 2.9 mm-40 -84.07 -32.57 24.72 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.446 . . . . 72.23 110.911 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.567 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -69.57 -53.55 18.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.1 -0.5 . . . . 44.0 111.146 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 6.9 t90 -61.83 -28.49 69.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 73.33 110.9 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . 0.493 ' ND2' ' HE ' ' A' ' 64' ' ' ARG . 2.4 t30 -86.67 -23.55 25.58 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.233 -0.44 . . . . 63.43 110.838 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -76.82 -21.2 55.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 45.13 111.087 179.887 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.649 HD21 ' HE3' ' A' ' 31' ' ' LYS . 6.9 mp -98.92 23.3 9.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.242 -0.435 . . . . 73.52 110.929 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . 0.493 ' HE ' ' ND2' ' A' ' 61' ' ' ASN . 27.9 mtm105 -62.98 134.6 56.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 63.4 110.885 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 92.18 -19.0 52.38 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.695 -0.764 . . . . 52.33 112.454 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.477 ' CE ' HD23 ' A' ' 63' ' ' LEU . 1.6 ttp -52.16 154.41 2.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.767 0.318 . . . . 61.03 110.883 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.5 m -97.87 -178.84 4.22 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.444 . . . . 45.0 110.877 -179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.726 HG22 ' HD2' ' A' ' 72' ' ' LYS . 13.3 m -71.58 -56.49 5.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.137 -0.483 . . . . 74.13 111.096 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.14 -25.89 67.95 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 72.43 110.949 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 47.1 t -66.42 -35.87 81.4 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.084 -0.507 . . . . 34.43 110.858 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.531 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -79.84 -49.89 11.31 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 63.21 111.086 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.726 ' HD2' HG22 ' A' ' 68' ' ' THR . 1.8 mtpp -57.51 -25.01 59.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 75.15 110.887 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 8.4 mt-10 -77.23 -19.73 56.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.245 -0.434 . . . . 73.14 110.917 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.449 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -90.52 -25.5 20.23 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.131 -0.486 . . . . 75.42 111.087 179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.443 ' CD1' ' HB1' ' A' ' 9' ' ' ALA . 2.8 t80 -69.53 -23.89 63.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 71.51 110.899 -179.786 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.485 HG11 ' OG ' ' A' ' 2' ' ' SER . 97.5 t -87.47 -36.64 9.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.146 -0.479 . . . . 63.51 111.155 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 39.0 mtmt -80.4 -30.29 37.76 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.214 -0.448 . . . . 65.04 110.923 179.862 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.659 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -80.71 -47.29 14.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.212 -0.449 . . . . 63.3 110.889 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.809 ' HA ' HD12 ' A' ' 82' ' ' LEU . 14.8 tp -53.33 -23.73 10.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.4 110.909 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.6 t70 -61.58 -25.16 67.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 75.41 110.824 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.659 HG22 ' O ' ' A' ' 78' ' ' LEU . 3.0 t -81.82 -24.21 36.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.261 -0.427 . . . . 50.4 111.128 -179.873 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.809 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -91.18 -56.03 3.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 74.3 110.902 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -142.71 81.11 13.56 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.59 0.71 . . . . 45.3 111.082 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -5.91 17.34 Favored 'Trans proline' 0 C--O 1.231 0.147 0 C-N-CA 122.713 2.275 . . . . 75.42 112.32 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 3.5 m -74.61 -5.1 41.04 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.248 -0.433 . . . . 73.21 110.886 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.712 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.5 p-90 -83.5 -27.85 29.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.107 -0.497 . . . . 75.31 110.936 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 10.3 ptp180 -89.36 -30.12 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 63.12 110.817 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 1.8 p30 . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 62.14 110.893 -179.965 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.727 0.299 . . . . 74.51 110.907 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.404 ' HB3' HG21 ' A' ' 76' ' ' VAL . 36.0 m -54.32 -40.91 68.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.425 . . . . 54.1 110.839 -179.796 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -54.87 -30.59 58.3 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.123 -0.489 . . . . 52.34 111.121 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 1.3 t70 -94.1 -23.63 17.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.255 -0.429 . . . . 63.14 110.836 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -81.63 -4.63 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 64.0 110.89 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.433 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.9 p90 -51.9 -31.36 28.07 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 71.24 110.844 -179.869 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -53.18 -56.57 15.35 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.149 -0.478 . . . . 73.44 110.885 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -63.73 -16.35 60.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 64.11 111.138 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.52 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -81.05 -53.35 6.49 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.41 111.078 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.433 HG23 ' O ' ' A' ' 6' ' ' PHE . 17.2 t -62.3 -25.93 38.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.268 -0.423 . . . . 65.11 111.146 179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 2.3 mmtm -66.89 -64.33 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.849 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 14.3 t80 -50.89 -28.14 8.97 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 53.14 110.908 -179.9 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.701 ' O ' HG23 ' A' ' 17' ' ' THR . 53.3 t -83.65 -34.52 10.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 71.35 111.115 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 43.7 t -77.77 -28.01 50.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.188 -0.46 . . . . 73.04 110.85 -179.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.8 p30 -98.49 -19.09 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.13 -0.486 . . . . 75.14 110.894 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.405 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -144.15 119.61 10.33 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.462 . . . . 63.34 111.139 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.701 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.4 OUTLIER -134.79 7.4 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 35.34 111.126 -179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 53.0 p -85.94 -7.36 58.73 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 75.01 111.106 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -51.48 163.19 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 71.13 110.851 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -71.76 98.19 1.91 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.161 -0.472 . . . . 73.21 110.868 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -136.09 156.93 47.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.42 111.083 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -87.2 154.61 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 55.41 110.859 -179.816 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 15.2 m120 -55.92 -25.83 44.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.108 -0.496 . . . . 73.55 110.875 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -89.15 -26.94 21.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 63.0 110.859 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 27.9 m-20 -78.25 -39.3 40.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 75.53 110.856 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.1 mtmm -66.97 -13.8 62.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.24 110.926 179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.491 HD21 ' CB ' ' A' ' 59' ' ' ALA . 6.9 tt -95.72 -9.29 32.26 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.228 -0.442 . . . . 73.52 110.923 179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 93.7 m -74.53 -45.45 45.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 53.03 110.865 179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.637 ' CD1' HG11 ' A' ' 13' ' ' VAL . 1.3 p90 -67.36 -13.57 62.13 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 63.12 110.886 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -80.62 -37.95 30.14 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.123 -0.49 . . . . 73.43 110.905 -179.832 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.522 ' HD3' ' HB1' ' A' ' 59' ' ' ALA . 31.9 pttt -80.24 -24.43 40.15 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.109 -0.496 . . . . 75.23 110.918 179.887 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 23.0 m-85 -72.53 -41.43 65.84 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.214 -0.448 . . . . 74.43 110.935 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 39.2 t80 -66.69 -23.65 66.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 74.32 110.936 -179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 27.3 mmmt -91.44 -34.69 14.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.125 -0.488 . . . . 64.0 110.889 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 22.4 mm100 -79.02 -28.09 43.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.434 . . . . 70.43 110.94 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.565 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -90.0 -0.01 57.35 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.159 -0.473 . . . . 54.21 111.089 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 99.6 m -120.69 -45.46 2.4 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 51.1 111.164 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 59.3 t -91.56 -64.26 1.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 72.25 111.141 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 131.57 -26.15 3.91 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.741 -0.743 . . . . 43.52 112.513 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 14.1 p30 -170.03 166.27 9.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.754 0.312 . . . . 74.45 110.912 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.2 t -95.67 133.65 39.49 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.254 -0.43 . . . . 55.14 110.904 -179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -148.22 53.93 1.02 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.249 -0.432 . . . . 74.32 110.899 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.16 153.64 55.59 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 75.13 110.892 179.902 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 153.77 68.69 Favored 'Trans proline' 0 C--O 1.232 0.204 0 C-N-CA 122.672 2.248 . . . . 62.04 112.373 179.902 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 12.7 tptm -53.93 135.3 57.17 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.539 0.685 . . . . 64.45 110.917 179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 -164.83 0.14 Allowed 'Trans proline' 0 N--CA 1.465 -0.166 0 C-N-CA 122.684 2.256 . . . . 61.12 112.354 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.69 -176.37 0.31 Allowed Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.752 -0.737 . . . . 62.14 112.488 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.558 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.8 OUTLIER -126.26 15.24 7.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.769 0.319 . . . . 73.44 110.883 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.654 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -125.48 -2.34 7.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.448 . . . . 65.34 110.937 179.984 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.516 ' N ' HD22 ' A' ' 49' ' ' LEU . 1.5 mt-30 -107.26 145.74 32.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 55.14 110.967 179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 3.3 mp -94.16 -52.36 4.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.237 -0.438 . . . . 72.4 110.923 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -48.97 -42.11 36.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.153 -0.476 . . . . 74.34 110.932 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 25.0 pt-20 -47.28 -43.21 22.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 62.31 110.896 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 1.4 mppt? -62.11 -43.85 97.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 73.41 110.909 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 6.0 m-85 -68.9 -29.5 67.79 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.218 -0.447 . . . . 75.24 110.9 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 1.6 mtpm? -83.82 -22.86 31.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 61.32 110.857 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.8 t90 -91.57 -29.07 17.14 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.278 -0.419 . . . . 74.3 110.87 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 -81.7 -35.35 29.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.29 -0.414 . . . . 73.01 110.87 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.522 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -67.65 -59.81 3.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.148 -0.478 . . . . 75.35 111.117 179.908 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.3 t90 -57.02 -28.7 62.73 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.215 -0.448 . . . . 75.22 110.912 -179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 11.4 t30 -85.43 -22.52 28.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 61.32 110.877 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -74.33 -26.32 60.09 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 72.44 111.136 179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.636 HD23 ' HE2' ' A' ' 66' ' ' MET . 10.1 mp -97.94 13.74 29.68 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 71.44 110.925 179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.9 ptm180 -55.25 119.52 5.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.215 -0.448 . . . . 74.1 110.877 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 106.21 -17.65 40.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.692 -0.766 . . . . 52.31 112.451 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.636 ' HE2' HD23 ' A' ' 63' ' ' LEU . 2.5 tpp -51.59 151.12 3.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.769 0.319 . . . . 62.42 110.912 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 58.2 m -86.78 166.02 15.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 73.23 110.86 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 86.2 m -64.97 -40.78 95.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.112 -0.494 . . . . 71.43 111.14 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 37.7 mt-10 -71.98 -33.08 67.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 72.51 110.868 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.7 m -62.71 -54.88 32.5 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.34 110.799 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.565 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -58.38 -43.53 88.52 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 72.11 111.134 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 62.5 mttt -60.54 -47.75 84.81 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.194 -0.457 . . . . 71.11 110.926 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -58.87 -23.6 61.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 64.22 110.884 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -83.99 -26.92 28.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 63.52 111.085 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.51 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 2.9 t80 -72.17 -29.0 63.59 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.233 -0.44 . . . . 71.12 110.943 -179.86 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.514 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 40.2 t -81.93 -32.27 11.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.104 -0.498 . . . . 64.32 111.119 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.7 mmmt -84.41 -39.68 18.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 73.23 110.916 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.693 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -69.87 -47.07 63.99 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.191 -0.459 . . . . 74.14 110.954 179.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.588 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.4 tp -52.78 -24.98 9.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 75.31 110.88 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 58.0 t0 -60.6 -29.32 69.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 64.44 110.881 179.84 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.693 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.3 t -84.16 -20.66 32.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.223 -0.444 . . . . 74.22 111.155 -179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.588 HD12 ' HA ' ' A' ' 79' ' ' LEU . 7.6 mt -89.34 -58.89 2.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.181 -0.463 . . . . 73.32 110.907 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -139.58 85.12 15.19 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.562 0.696 . . . . 74.43 111.069 179.787 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.77 -6.08 17.76 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.688 2.259 . . . . 73.55 112.363 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 16.3 m -72.55 -7.67 51.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 55.14 110.871 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.52 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -84.6 -24.22 29.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.133 -0.485 . . . . 54.01 110.892 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 3.4 ptp180 -102.26 -27.52 12.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.253 -0.43 . . . . 75.34 110.895 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 19.3 m-80 . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 74.45 110.888 -179.991 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.3 ptt? . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.819 0.342 . . . . 72.43 110.881 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.1 p -62.72 -24.59 67.75 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.193 -0.458 . . . . 73.32 110.829 -179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -73.66 -25.2 60.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.143 -0.48 . . . . 63.14 111.103 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 23.2 t70 -94.09 -25.42 17.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.437 . . . . 74.5 110.859 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 3.1 m-20 -81.63 -4.68 56.78 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 54.41 110.897 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.601 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.2 p90 -51.79 -30.25 22.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.153 -0.476 . . . . 73.33 110.892 -179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -56.69 -55.15 37.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.126 -0.488 . . . . 64.33 110.855 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -58.39 -21.79 51.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 72.34 111.103 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.654 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.83 -49.02 11.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 53.53 111.078 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.601 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.9 t -62.67 -32.45 55.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 61.03 111.08 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 46.4 mmtt -73.89 -27.94 61.31 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 54.2 110.9 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -80.33 -26.71 38.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 75.21 110.975 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.656 ' O ' HG23 ' A' ' 17' ' ' THR . 55.7 t -93.61 -31.52 4.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.095 -0.502 . . . . 52.12 111.138 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 27.5 t -76.12 -37.56 57.92 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.159 -0.473 . . . . 64.34 110.855 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 79.5 m-20 -89.33 -46.25 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.114 -0.494 . . . . 73.44 110.895 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.419 ' O ' HG22 ' A' ' 16' ' ' THR . 1.0 OUTLIER -105.88 116.61 32.24 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.194 -0.457 . . . . 42.15 111.121 -179.95 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.656 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.5 OUTLIER -132.95 5.47 3.88 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.261 -0.427 . . . . 74.23 111.17 -179.964 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.6 t -80.35 -10.57 59.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.468 . . . . 41.4 111.149 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -55.93 160.16 2.88 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.19 -0.459 . . . . 71.03 110.896 179.893 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 39.4 mtt -69.02 98.75 1.0 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.228 -0.442 . . . . 72.4 110.89 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.566 ' CB ' HD23 ' A' ' 82' ' ' LEU . . . -128.91 157.24 42.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.219 -0.446 . . . . 70.43 111.116 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 42.2 t -101.9 165.18 11.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.448 . . . . 64.4 110.859 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 29.3 t-20 -62.72 -23.16 67.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 63.53 110.9 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.9 t70 -88.02 -46.22 9.52 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 60.44 110.837 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.484 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.9 OUTLIER -59.55 -36.9 77.07 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 61.41 110.884 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.87 -14.19 61.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 71.2 110.912 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.462 HD11 ' HG3' ' A' ' 56' ' ' LYS . 0.6 OUTLIER -92.37 -9.25 42.45 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 61.22 110.897 179.927 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 71.2 m -77.8 -48.76 15.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.241 -0.436 . . . . 65.15 110.904 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 1.9 p90 -67.96 -13.69 62.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.464 . . . . 64.21 110.916 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -81.31 -37.61 28.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.134 -0.485 . . . . 75.13 110.938 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.565 ' CD ' HD11 ' A' ' 63' ' ' LEU . 34.9 pttt -80.7 -23.03 39.82 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.126 -0.488 . . . . 70.5 110.856 179.912 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . 0.447 ' CZ ' ' HB1' ' A' ' 74' ' ' ALA . 20.0 m-85 -73.27 -41.1 64.02 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.421 . . . . 75.31 110.931 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 23.1 t80 -64.57 -27.62 69.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.124 -0.489 . . . . 64.02 110.944 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 28.0 mmmt -87.59 -34.13 18.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 75.3 110.902 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 36.5 mm-40 -77.35 -29.31 53.34 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.186 -0.461 . . . . 55.44 110.893 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.41 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -87.31 -2.86 58.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 72.41 111.104 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 61.8 m -117.0 -37.78 3.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.164 -0.471 . . . . 62.24 111.177 -179.892 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 39.0 t -102.3 -60.54 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 53.34 111.159 179.87 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 119.04 -22.43 9.07 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.749 -0.739 . . . . 62.01 112.507 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 50.5 p30 -161.35 159.89 28.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.735 0.302 . . . . 71.43 110.882 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 51.1 t -96.45 124.02 40.3 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.243 -0.435 . . . . 75.3 110.923 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 2.3 m-80 -140.83 63.26 1.46 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 74.13 110.906 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -129.77 155.14 80.89 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.54 0.686 . . . . 73.22 110.922 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 154.29 68.08 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.679 2.253 . . . . 72.21 112.355 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 24.1 tptt -62.66 134.73 95.41 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.608 0.718 . . . . 72.34 110.87 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 -165.06 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.686 2.258 . . . . 72.23 112.358 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -63.11 -155.84 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.753 -0.737 . . . . 72.0 112.496 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.5 ttm -133.33 -35.45 1.02 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.767 0.317 . . . . 73.11 110.887 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.766 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -67.29 -8.43 32.12 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.276 -0.42 . . . . 72.14 110.892 179.99 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.441 ' N ' HD13 ' A' ' 49' ' ' LEU . 6.5 mt-30 -99.78 138.73 36.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 51.53 110.924 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.3 mt -91.9 -57.59 2.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.907 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -50.59 -35.18 28.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 74.24 110.88 179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 13.5 pt-20 -49.3 -38.19 26.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 60.35 110.869 -179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.27 -45.14 73.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 72.05 110.898 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 10.2 m-85 -66.26 -37.52 85.67 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.246 -0.434 . . . . 74.41 110.902 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.462 ' HG3' HD11 ' A' ' 27' ' ' LEU . 23.6 mtpt -72.92 -23.91 60.76 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.138 -0.483 . . . . 71.45 110.886 179.911 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 8.4 t90 -91.36 -26.02 19.11 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 72.42 110.933 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -85.16 -33.83 22.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 75.45 110.952 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.454 ' HB1' ' HD3' ' A' ' 31' ' ' LYS . . . -66.77 -57.89 6.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.502 . . . . 74.34 111.103 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.8 t90 -58.08 -35.57 71.58 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.216 -0.447 . . . . 70.2 110.915 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 20.2 t30 -78.37 -23.43 46.86 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.234 -0.439 . . . . 75.41 110.861 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -68.6 -24.58 64.6 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 64.42 111.098 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.565 HD11 ' CD ' ' A' ' 31' ' ' LYS . 3.3 mt -104.64 15.68 27.51 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 65.14 110.909 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 8.0 ptm180 -51.14 125.65 14.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.246 -0.434 . . . . 72.14 110.874 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 99.45 -15.9 59.54 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.787 -0.72 . . . . 72.21 112.508 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . . . . . . . . . 28.2 ttm -51.96 150.54 4.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.792 0.329 . . . . 75.35 110.886 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 14.3 p -88.65 -174.39 4.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.205 -0.452 . . . . 54.13 110.861 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . . . . . . . . . 87.9 m -80.76 -36.98 31.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.103 -0.499 . . . . 65.34 111.15 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 20.4 mt-10 -72.27 -41.12 67.07 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.197 -0.456 . . . . 74.13 110.887 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 48.1 t -56.97 -51.21 70.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 63.05 110.827 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.41 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -59.16 -45.14 91.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 61.15 111.052 179.954 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . . . . . . . . . 52.3 mttt -63.66 -41.34 98.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.214 -0.448 . . . . 64.45 110.894 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.81 -17.53 64.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.21 -0.45 . . . . 72.14 110.879 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . 0.447 ' HB1' ' CZ ' ' A' ' 32' ' ' TYR . . . -89.17 -28.18 20.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 34.31 111.072 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.441 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 1.6 t80 -73.07 -20.29 61.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 62.11 110.941 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.547 HG13 ' CH2' ' A' ' 86' ' ' TRP . 18.2 t -91.49 -30.48 4.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.125 -0.489 . . . . 75.13 111.133 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 29.0 mttp -87.36 -38.82 15.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.193 -0.458 . . . . 70.34 110.88 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.623 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.66 -45.18 60.23 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.04 110.928 179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.731 ' HA ' HD12 ' A' ' 82' ' ' LEU . 21.0 tp -54.01 -24.3 16.45 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.236 -0.438 . . . . 52.24 110.89 179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 38.1 t0 -61.32 -18.45 58.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 72.21 110.867 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.623 HG22 ' O ' ' A' ' 78' ' ' LEU . 2.1 t -90.91 -26.91 19.08 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 54.41 111.144 -179.885 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.731 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.3 mt -85.5 -56.54 3.46 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 73.45 110.953 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.9 83.51 14.15 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.629 0.728 . . . . 73.43 111.121 179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 -6.14 17.85 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.703 2.269 . . . . 62.41 112.339 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 25.3 t -73.65 -6.76 48.74 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.224 -0.444 . . . . 61.51 110.831 -179.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.654 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.1 p-90 -82.85 -24.96 33.04 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.157 -0.474 . . . . 73.33 110.951 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.3 ptp180 -98.99 -25.09 14.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 71.11 110.832 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 31.6 m-80 . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 74.31 110.874 -179.922 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.1 ttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.774 0.321 . . . . 75.2 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . 0.564 ' HB3' HG21 ' A' ' 76' ' ' VAL . 44.2 m -77.6 -23.75 49.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 72.02 110.847 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -52.61 -38.35 59.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.109 -0.496 . . . . 62.14 111.136 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -74.62 -25.81 59.48 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.206 -0.452 . . . . 72.21 110.866 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 17.1 m-20 -82.03 -1.38 48.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.45 110.837 -179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.738 ' O ' HG23 ' A' ' 10' ' ' VAL . 1.9 p90 -51.86 -28.28 15.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 61.12 110.882 -179.927 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.32 -55.78 30.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.139 -0.482 . . . . 72.11 110.881 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.03 -23.01 61.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 64.23 111.142 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.645 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -80.45 -49.12 11.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 64.32 111.091 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.738 HG23 ' O ' ' A' ' 6' ' ' PHE . 18.7 t -61.71 -31.21 50.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 73.13 111.134 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -73.85 -29.14 61.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.137 -0.483 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 2.8 t80 -79.79 -26.11 40.71 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.252 -0.431 . . . . 75.42 110.908 -179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.652 ' O ' HG23 ' A' ' 17' ' ' THR . 53.2 t -93.6 -31.96 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.119 -0.492 . . . . 72.45 111.096 179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 36.1 t -74.37 -37.9 63.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.173 -0.467 . . . . 72.01 110.838 -179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -89.49 -47.71 7.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.119 -0.491 . . . . 63.33 110.893 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . 0.422 ' O ' HG22 ' A' ' 16' ' ' THR . 1.1 m -104.23 116.0 31.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.129 -0.487 . . . . 75.53 111.137 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.652 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.2 OUTLIER -133.77 6.2 3.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 61.31 111.182 -179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 2.0 p -81.67 -13.11 58.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 62.43 111.179 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -52.79 160.6 0.89 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 74.13 110.906 179.875 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.34 98.18 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 70.13 110.858 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.49 ' HB2' HD23 ' A' ' 82' ' ' LEU . . . -129.18 156.86 43.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.246 -0.433 . . . . 63.22 111.109 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.5 m -107.85 161.7 14.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 71.21 110.873 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -56.84 -24.5 51.73 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.162 -0.472 . . . . 72.04 110.829 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -86.57 -48.68 8.14 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 65.13 110.827 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . 0.448 ' OD2' HG21 ' A' ' 81' ' ' THR . 0.8 OUTLIER -60.97 -37.57 82.89 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.201 -0.454 . . . . 71.45 110.867 -179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.454 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 7.7 mtmt -66.8 -13.69 61.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 72.11 110.911 179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.425 HD21 ' O ' ' A' ' 55' ' ' TYR . 0.8 OUTLIER -93.98 -9.31 37.36 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.461 . . . . 75.42 110.944 179.892 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 90.0 m -77.2 -48.58 17.21 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.186 -0.461 . . . . 63.42 110.866 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.469 ' CD2' HG11 ' A' ' 13' ' ' VAL . 1.7 p90 -66.52 -13.64 61.2 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 74.42 110.868 -179.863 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -84.34 -38.61 20.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.184 -0.462 . . . . 73.41 110.923 -179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.468 ' HE3' HD21 ' A' ' 63' ' ' LEU . 24.0 pttt -77.26 -23.15 51.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.155 -0.475 . . . . 64.0 110.903 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 20.2 m-85 -74.38 -45.68 45.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.444 . . . . 75.12 110.904 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 38.6 t80 -62.24 -23.81 66.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 75.45 110.874 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt -84.3 -46.23 11.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 74.1 110.875 179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -71.5 -25.0 62.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 73.34 110.921 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.466 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.48 0.07 56.67 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.197 -0.456 . . . . 72.24 111.098 179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 97.8 m -119.58 -52.85 2.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.227 -0.442 . . . . 63.41 111.143 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 67.9 t -90.32 -66.05 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.232 -0.44 . . . . 41.31 111.167 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 139.57 -52.71 0.71 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.717 -0.754 . . . . 55.1 112.484 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 9.0 p-10 -144.81 155.19 43.37 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.829 0.347 . . . . 74.01 110.86 -179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 35.3 t -72.99 141.61 47.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.15 -0.477 . . . . 42.12 110.844 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 9.1 p30 -163.29 47.65 0.14 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.121 -0.491 . . . . 52.25 110.905 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 13.8 mmtt -118.09 158.21 46.77 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.548 0.69 . . . . 74.13 110.905 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 145.53 57.5 Favored 'Trans proline' 0 C--O 1.232 0.208 0 C-N-CA 122.67 2.246 . . . . 73.32 112.342 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -57.11 134.34 80.61 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.626 0.727 . . . . 74.31 110.871 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 -164.4 0.13 Allowed 'Trans proline' 0 C--N 1.342 0.226 0 C-N-CA 122.668 2.245 . . . . 63.41 112.344 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -62.01 -158.69 0.11 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.807 -0.711 . . . . 53.52 112.458 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . . . . . . . . . 5.2 ttt -129.28 -37.38 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.757 0.313 . . . . 55.33 110.884 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.759 HD22 ' C ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -68.16 -7.82 33.32 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.247 -0.433 . . . . 70.11 110.889 179.983 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . 0.459 ' N ' HD13 ' A' ' 49' ' ' LEU . 17.3 mt-30 -95.58 138.12 33.7 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.219 -0.446 . . . . 75.03 110.859 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 1.3 mt -92.84 -56.87 2.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.03 110.929 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . 0.57 ' H ' ' NE2' ' A' ' 52' ' ' GLN . 3.7 mp0 -51.26 -33.52 28.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.465 . . . . 72.13 110.931 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 15.5 pt-20 -49.17 -39.32 28.77 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.247 -0.433 . . . . 73.34 110.893 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -71.0 -40.19 71.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 74.34 110.946 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . 0.425 ' O ' HD21 ' A' ' 27' ' ' LEU . 6.8 m-85 -71.06 -26.74 63.21 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.21 110.889 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . . . . . . . . . 26.0 mttt -87.56 -24.65 23.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 72.53 110.855 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 11.9 t90 -91.78 -25.52 18.99 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.251 -0.431 . . . . 74.12 110.942 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 6.5 mm-40 -80.86 -42.12 22.06 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.217 -0.447 . . . . 74.4 110.861 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . . . . . . . . . . . -61.74 -56.33 20.72 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.178 -0.465 . . . . 73.23 111.056 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 11.3 t90 -55.1 -26.48 38.38 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.22 -0.445 . . . . 74.41 110.93 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.4 t30 -87.53 -25.51 23.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 64.24 110.839 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -73.55 -21.34 60.39 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 74.52 111.05 179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.55 HD23 ' CE ' ' A' ' 66' ' ' MET . 8.0 mp -97.43 21.64 9.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.233 -0.44 . . . . 65.01 110.914 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 50.1 mtm180 -61.7 129.32 40.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.189 -0.459 . . . . 74.12 110.87 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 97.94 -18.56 56.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 61.43 112.499 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.55 ' CE ' HD23 ' A' ' 63' ' ' LEU . 2.7 ttp -53.81 154.21 4.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.786 0.327 . . . . 74.41 110.926 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 1.4 m -99.67 172.44 7.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.259 -0.428 . . . . 73.15 110.87 -179.825 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.644 HG22 ' HD2' ' A' ' 72' ' ' LYS . 92.9 m -63.71 -48.91 75.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.134 -0.485 . . . . 70.23 111.174 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -66.75 -35.86 81.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 74.41 110.889 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 35.6 t -58.63 -41.05 85.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.142 -0.481 . . . . 51.34 110.842 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.466 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -73.31 -51.73 16.46 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.119 -0.491 . . . . 74.14 111.112 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.644 ' HD2' HG22 ' A' ' 68' ' ' THR . 31.4 mttt -56.99 -29.71 63.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 61.14 110.893 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 17.4 mt-10 -73.94 -21.88 59.87 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.222 -0.444 . . . . 61.04 110.907 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -86.89 -25.48 24.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.121 -0.49 . . . . 52.35 111.091 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . . . . . . . . . 2.9 t80 -72.62 -19.95 61.37 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.185 -0.461 . . . . 75.41 110.895 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.564 HG21 ' HB3' ' A' ' 2' ' ' SER . 24.6 t -91.04 -31.95 5.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.157 -0.474 . . . . 50.13 111.152 179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 14.5 mmmt -86.29 -37.97 17.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 72.25 110.89 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.625 ' O ' HG22 ' A' ' 81' ' ' THR . 3.3 tm? -72.82 -45.11 60.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 73.14 110.971 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.738 ' HA ' HD12 ' A' ' 82' ' ' LEU . 19.1 tp -53.62 -25.57 18.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.41 110.934 179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -60.5 -21.97 63.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 75.15 110.858 179.871 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.625 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.8 t -86.62 -25.94 24.65 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 75.33 111.17 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.738 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.4 mt -87.17 -57.96 2.76 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.195 -0.457 . . . . 70.43 110.951 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -140.25 83.04 15.98 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.588 0.709 . . . . 73.32 111.068 179.802 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -7.05 20.04 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.719 2.279 . . . . 62.14 112.355 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 1.4 m -71.61 -8.74 55.92 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.225 -0.443 . . . . 73.41 110.864 -179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.645 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.3 p-90 -80.61 -26.48 37.77 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.106 -0.497 . . . . 72.31 110.931 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -99.0 -26.01 14.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 72.44 110.845 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 9.1 m-80 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 51.31 110.864 -179.97 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.818 0.342 . . . . 73.25 110.883 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -61.34 -25.03 66.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.237 -0.438 . . . . 71.42 110.872 -179.806 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -67.73 -28.2 67.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.112 -0.495 . . . . 33.12 111.136 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -93.99 -24.43 17.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 75.23 110.893 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ASP . . . . . . . . . . . . . 61.0 m-20 -81.54 -5.15 57.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 62.4 110.847 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' PHE . . . . . 0.488 ' O ' HG23 ' A' ' 10' ' ' VAL . 2.6 p90 -51.51 -31.09 22.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.223 -0.444 . . . . 73.41 110.901 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -57.43 -43.61 83.97 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 74.23 110.858 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' HA ' ' HG2' ' A' ' 11' ' ' LYS . . . -74.5 -10.75 59.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.198 -0.455 . . . . 70.33 111.093 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.689 ' HB2' ' CH2' ' A' ' 86' ' ' TRP . . . -92.49 -31.58 15.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.431 . . . . 72.41 111.068 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' VAL . . . . . 0.488 HG23 ' O ' ' A' ' 6' ' ' PHE . 56.6 t -77.74 -26.91 15.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.24 -0.437 . . . . 74.54 111.109 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.468 ' HG2' ' HA ' ' A' ' 8' ' ' ALA . 0.0 OUTLIER -72.85 -47.96 41.75 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 71.13 110.888 179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -62.48 -24.3 67.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.249 -0.432 . . . . 71.12 110.943 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' VAL . . . . . 0.608 HG11 ' CD1' ' A' ' 29' ' ' PHE . 48.8 t -93.75 -32.4 4.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.114 -0.494 . . . . 71.33 111.072 179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' SER . . . . . . . . . . . . . 38.5 t -76.17 -37.97 57.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.449 . . . . 71.44 110.866 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 60.3 m-20 -88.52 -47.04 8.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 72.25 110.916 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -104.72 122.28 45.36 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.16 -0.473 . . . . 74.32 111.155 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' THR . . . . . 0.603 HG23 ' O ' ' A' ' 13' ' ' VAL . 0.3 OUTLIER -140.38 13.14 2.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.243 -0.435 . . . . 75.3 111.152 179.983 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' THR . . . . . . . . . . . . . 14.4 t -89.98 -14.3 34.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.239 -0.437 . . . . 74.41 111.138 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -56.12 161.22 2.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 64.33 110.886 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' MET . . . . . . . . . . . . . 10.6 mtt -62.39 98.16 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 71.44 110.924 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.423 ' HB1' ' HG2' ' A' ' 26' ' ' LYS . . . -125.2 147.46 49.05 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.227 -0.442 . . . . 63.34 111.117 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 1.2 t -101.19 153.58 19.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 53.45 110.847 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -52.48 -29.75 26.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.479 . . . . 64.2 110.919 -179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -84.98 -36.89 21.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 52.23 110.848 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' ASP . . . . . . . . . . . . . 17.7 m-20 -65.45 -44.19 88.01 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.239 -0.437 . . . . 61.11 110.869 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.423 ' HG2' ' HB1' ' A' ' 21' ' ' ALA . 2.9 mtmp? -63.96 -25.27 68.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.456 . . . . 74.24 110.906 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.67 HD21 ' HB2' ' A' ' 59' ' ' ALA . 0.6 OUTLIER -78.96 -9.37 59.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 73.0 110.914 179.898 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' CYS . . . . . . . . . . . . . 70.5 m -81.36 -50.92 8.91 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.217 -0.447 . . . . 74.33 110.831 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.608 ' CD1' HG11 ' A' ' 13' ' ' VAL . 6.8 p90 -71.7 -13.4 61.72 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 75.31 110.88 -179.85 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -79.69 -28.78 40.66 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.185 -0.461 . . . . 72.43 110.885 -179.857 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' LYS . . . . . 0.441 ' HE3' HD21 ' A' ' 63' ' ' LEU . 34.0 pttt -92.02 -22.77 19.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.138 -0.483 . . . . 72.22 110.903 179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TYR . . . . . . . . . . . . . 22.1 m-85 -71.21 -41.8 69.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.202 -0.453 . . . . 73.14 110.914 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -66.42 -21.37 66.21 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.098 -0.501 . . . . 72.33 110.937 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -90.31 -37.8 13.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 74.53 110.89 179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -75.97 -29.41 58.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.221 -0.445 . . . . 74.54 110.892 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ALA . . . . . 0.544 ' HB2' ' HB3' ' A' ' 71' ' ' ALA . . . -88.76 0.07 56.84 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.226 -0.443 . . . . 60.32 111.113 179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' THR . . . . . . . . . . . . . 78.5 m -118.87 -53.12 2.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.26 -0.427 . . . . 75.42 111.121 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' VAL . . . . . . . . . . . . . 98.2 t -90.45 -64.21 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.55 111.13 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLY . . . . . . . . . . . . . . . 140.7 -46.96 0.89 Allowed Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.497 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.1 p30 -154.96 164.96 38.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.778 0.323 . . . . 71.44 110.853 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' CYS . . . . . . . . . . . . . 44.4 t -79.58 133.92 36.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.181 -0.463 . . . . 71.21 110.872 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASN . . . . . . . . . . . . . 6.6 m-80 -150.39 46.77 0.89 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 65.21 110.942 -179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LYS . . . . . . . . . . . . . 5.6 mmpt? -118.8 155.63 52.49 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.581 0.705 . . . . 73.01 110.874 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.71 156.39 63.58 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.701 2.267 . . . . 71.11 112.306 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LYS . . . . . . . . . . . . . 17.2 tptp -59.0 136.21 87.68 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.577 0.704 . . . . 73.04 110.882 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -164.99 0.14 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.69 2.26 . . . . 63.31 112.343 179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' GLY . . . . . . . . . . . . . . . -56.89 -174.72 0.25 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.739 -0.743 . . . . 75.54 112.519 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' MET . . . . . 0.524 ' H ' HD13 ' A' ' 49' ' ' LEU . 0.1 OUTLIER -123.51 14.59 9.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.772 0.32 . . . . 64.23 110.866 -179.985 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LEU . . . . . 0.657 HD13 ' N ' ' A' ' 49' ' ' LEU . 0.0 OUTLIER -130.59 12.95 5.43 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.272 -0.422 . . . . 64.2 110.928 179.997 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' GLN . . . . . . . . . . . . . 1.9 mt-30 -113.3 142.0 46.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 72.31 110.908 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' LEU . . . . . . . . . . . . . 4.2 mt -90.1 -55.58 3.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.201 -0.454 . . . . 72.23 110.925 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.64 -22.35 22.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 72.23 110.93 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -61.88 -37.73 85.66 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 75.14 110.87 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.92 -46.33 68.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 60.53 110.892 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' TYR . . . . . . . . . . . . . 5.3 m-85 -69.15 -37.23 78.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.226 -0.443 . . . . 74.55 110.885 -179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LYS . . . . . 0.459 ' HA ' HD11 ' A' ' 27' ' ' LEU . 46.5 mtpt -73.73 -27.86 61.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.118 -0.492 . . . . 74.3 110.909 179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' TRP . . . . . . . . . . . . . 17.1 t90 -91.29 -20.34 22.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 73.12 110.916 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLU . . . . . . . . . . . . . 9.8 mm-40 -89.46 -32.46 17.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.197 -0.456 . . . . 63.21 110.925 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ALA . . . . . 0.67 ' HB2' HD21 ' A' ' 27' ' ' LEU . . . -68.53 -54.93 13.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 64.45 111.106 179.92 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' TRP . . . . . . . . . . . . . 10.9 t90 -59.03 -27.11 65.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.245 -0.434 . . . . 73.42 110.947 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ASN . . . . . . . . . . . . . 2.5 t30 -87.69 -26.47 22.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.451 . . . . 70.3 110.871 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ALA . . . . . . . . . . . . . . . -69.3 -23.68 63.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.173 -0.467 . . . . 74.14 111.123 179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LEU . . . . . 0.441 HD21 ' HE3' ' A' ' 31' ' ' LYS . 8.5 mp -96.55 9.61 40.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 52.33 110.932 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' ARG . . . . . . . . . . . . . 15.0 mtp180 -51.83 117.0 2.42 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.187 -0.46 . . . . 74.11 110.82 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 111.6 -17.76 25.44 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.698 -0.763 . . . . 61.4 112.479 -179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' MET . . . . . 0.438 ' CE ' HD23 ' A' ' 63' ' ' LEU . 0.9 OUTLIER -59.6 154.34 17.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.827 0.346 . . . . 74.14 110.8 -179.901 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' SER . . . . . . . . . . . . . 70.7 m -96.24 -175.23 3.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 64.32 110.875 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' THR . . . . . 0.76 HG22 ' HD2' ' A' ' 72' ' ' LYS . 90.4 m -77.84 -43.51 30.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.089 -0.505 . . . . 65.32 111.152 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -66.64 -31.67 72.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 43.2 110.903 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 22.5 m -66.41 -49.57 66.36 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.877 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ALA . . . . . 0.544 ' HB3' ' HB2' ' A' ' 36' ' ' ALA . . . -64.02 -50.39 68.67 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.14 -0.482 . . . . 74.45 111.084 179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LYS . . . . . 0.76 ' HD2' HG22 ' A' ' 68' ' ' THR . 40.7 mttt -55.34 -42.86 74.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.24 -0.437 . . . . 74.02 110.892 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -62.25 -17.74 59.26 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.218 -0.446 . . . . 73.3 110.91 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ALA . . . . . . . . . . . . . . . -92.03 -25.07 18.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.112 -0.495 . . . . 60.51 111.098 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' TYR . . . . . 0.438 ' HD1' ' HB1' ' A' ' 9' ' ' ALA . 0.7 OUTLIER -72.29 -20.61 61.48 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 75.05 110.91 -179.849 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' VAL . . . . . 0.53 HG13 ' CZ2' ' A' ' 86' ' ' TRP . 20.7 t -91.38 -32.58 5.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.14 111.126 179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' LYS . . . . . . . . . . . . . 4.1 mmmt -84.94 -46.05 11.62 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.183 -0.462 . . . . 72.21 110.886 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LEU . . . . . 0.637 ' O ' HG22 ' A' ' 81' ' ' THR . 3.4 tm? -64.65 -46.57 81.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.233 -0.44 . . . . 74.44 110.94 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.747 ' HA ' HD12 ' A' ' 82' ' ' LEU . 16.2 tp -53.24 -26.27 17.36 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 61.24 110.909 179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ASP . . . . . . . . . . . . . 33.3 t70 -61.66 -25.18 67.23 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.199 -0.455 . . . . 60.3 110.84 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' THR . . . . . 0.637 HG22 ' O ' ' A' ' 78' ' ' LEU . 1.5 t -81.9 -23.15 36.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 63.24 111.117 -179.871 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' LEU . . . . . 0.747 HD12 ' HA ' ' A' ' 79' ' ' LEU . 1.5 mt -91.15 -58.29 2.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.264 -0.426 . . . . 73.12 110.902 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ALA . . . . . . . . . . . . . . . -141.67 83.5 13.02 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.58 0.705 . . . . 73.43 111.104 179.765 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -5.6 16.62 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.649 2.232 . . . . 72.22 112.35 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' SER . . . . . . . . . . . . . 45.4 t -72.93 -6.74 47.25 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.843 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' TRP . . . . . 0.689 ' CH2' ' HB2' ' A' ' 9' ' ' ALA . 1.7 p-90 -80.71 -28.58 36.61 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.131 -0.486 . . . . 75.52 110.904 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ARG . . . . . . . . . . . . . 11.2 ptp180 -91.16 -32.38 15.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 73.11 110.901 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASN . . . . . . . . . . . . . 2.3 p30 . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 64.11 110.899 -179.976 . . . . . . . . 0 0 . 1 stop_ save_