data_6obk_residue ############################ # Computer software used # ############################ 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 6obk _Structure_validation_residue.Date_analyzed 2020-03-27 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 ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.748 0.308 . . . . 75.43 110.892 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.113 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.908 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.114 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 62.31 111.151 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.55 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.53 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.949 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.88 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 75.21 111.132 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.02 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 65.25 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 74.13 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.895 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.02 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.159 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.88 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.75 0.31 . . . . 72.22 110.902 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.12 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.952 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.889 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 75.31 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.96 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 75.41 111.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 73.31 112.358 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 52.52 110.921 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.873 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.158 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.881 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.41 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.21 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.146 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.4 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.911 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.15 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.44 111.17 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.45 110.812 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.765 0.317 . . . . 65.24 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.1 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.085 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 61.2 111.081 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.947 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.122 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 74.21 111.096 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.13 112.31 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 71.12 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.938 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.917 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.5 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.54 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.43 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.952 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.9 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 70.54 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.845 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.763 0.316 . . . . 74.15 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.103 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.919 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 75.32 111.145 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 73.3 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.44 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.04 110.967 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.936 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.155 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.865 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.55 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.939 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.892 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.2 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.12 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.31 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.148 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.905 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 75.35 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.154 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.31 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.128 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.53 110.871 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.12 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 74.23 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.13 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.12 110.932 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.54 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.4 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.13 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.864 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.12 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 65.32 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.142 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.54 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.25 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.134 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.51 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.86 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.737 0.303 . . . . 73.41 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 71.42 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.196 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 73.1 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.943 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.03 111.097 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 72.41 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.31 111.145 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.24 112.37 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 75.21 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.965 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.13 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.94 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.32 111.103 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.03 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.01 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 75.41 111.137 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.51 110.925 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.907 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.723 0.297 . . . . 72.03 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.41 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 63.41 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.132 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.873 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.917 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.31 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.102 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 75.14 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.24 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.895 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 75.5 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.963 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.53 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 75.34 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 71.44 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.13 110.849 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.45 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.876 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.939 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.184 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.33 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.52 110.844 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 72.44 110.877 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.34 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.54 111.14 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.083 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.9 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.09 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.933 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.33 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 63.03 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.93 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.11 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.913 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.125 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.53 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 71.04 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.886 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.918 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.882 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.34 111.116 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.841 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 75.22 110.901 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.13 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.884 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.21 110.868 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.941 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.916 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.406 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.14 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.15 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.23 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.933 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.13 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 72.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.44 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.12 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.854 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 71.21 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 73.32 111.129 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.855 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.708 0.289 . . . . 74.52 110.932 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.43 111.113 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 75.35 110.927 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.14 110.922 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.861 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.04 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.973 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.31 111.149 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 71.21 112.342 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.15 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.93 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.097 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.52 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.15 110.916 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.863 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 73.43 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.32 110.916 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.138 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 71.54 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.883 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.965 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.916 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.895 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.742 0.306 . . . . 74.33 110.899 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 61.55 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.935 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.894 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 74.12 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 63.22 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.13 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.896 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.94 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 74.21 111.119 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.914 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 75.02 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.11 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.55 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.891 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.22 111.164 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.01 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.871 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.763 0.316 . . . . 72.13 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.34 111.165 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.116 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.15 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.21 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 75.42 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.11 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 72.33 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.905 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.21 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 72.22 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.03 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 74.55 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.45 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.888 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.12 111.127 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.35 110.889 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 73.4 110.922 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 73.12 111.07 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.911 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.873 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.099 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.947 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.43 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.51 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 73.52 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.916 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.35 111.102 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.914 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 75.33 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.35 111.158 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.2 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.899 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.097 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.874 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 74.41 110.92 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.35 111.142 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.928 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.923 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.15 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.33 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 53.03 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.03 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.14 110.948 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.13 111.128 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.35 110.913 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 62.2 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.44 110.853 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.128 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 72.44 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.14 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.741 0.305 . . . . 73.51 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 73.23 111.152 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.33 111.102 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.885 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.168 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.941 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 73.55 111.187 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.21 112.361 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.02 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 65.22 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.9 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 65.54 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 74.14 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 62.45 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.9 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.827 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 75.53 110.908 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.14 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.166 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.952 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.106 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 62.41 110.919 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.161 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.05 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 61.1 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.03 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.929 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.35 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.44 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.13 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.172 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.41 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.927 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.32 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.55 110.867 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.737 0.303 . . . . 75.0 110.893 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.2 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 72.11 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.42 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.42 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.933 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 73.14 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 73.44 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.13 110.915 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.19 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 73.03 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.42 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 74.11 110.856 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.03 111.129 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 70.35 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.896 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.925 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.02 111.145 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.53 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.714 0.292 . . . . 73.22 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.132 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.904 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.136 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.903 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.22 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.01 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 74.22 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 73.12 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.3 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.973 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.31 111.143 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 63.45 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.126 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.14 110.925 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.44 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.43 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.953 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.927 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.177 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 74.52 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.734 0.302 . . . . 75.22 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.01 111.138 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.917 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.905 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.02 111.112 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 70.21 111.191 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.23 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 74.14 111.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 25' ' ' LEU . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 75.15 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.12 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.35 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.11 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.124 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.948 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.96 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.895 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.34 110.914 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.904 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.686 0.279 . . . . 73.41 110.86 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.149 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.92 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.071 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.909 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.123 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.2 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 71.34 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 73.02 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.1 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.51 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.936 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 73.43 111.122 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.921 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.45 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.05 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 70.22 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.867 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.878 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 75.34 111.13 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.12 110.916 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.849 -179.914 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.771 0.319 . . . . 72.22 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -115.62 54.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttt -99.9 -34.67 10.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.892 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 74.21 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.113 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 75.32 110.908 179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.114 179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 72.11 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 62.31 111.151 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 73.22 110.863 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.55 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.53 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 74.43 110.949 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 74.13 110.88 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 75.21 111.132 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 74.03 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.947 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 74.32 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 74.02 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 65.25 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 74.13 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 72.43 111.112 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.895 179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 75.02 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.892 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 73.41 111.159 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -59.33 99.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 75.41 110.88 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 p -121.21 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.42 110.853 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.48 149.7 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 71.01 110.838 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.775 0.321 . . . . 73.21 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -117.67 160.89 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.856 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 52.7 mttp -69.15 -33.04 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 72.22 110.902 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.12 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 75.02 110.952 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 74.23 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.21 110.889 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 75.31 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 73.12 110.96 179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 75.41 111.153 179.933 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 73.31 112.358 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 74.31 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 75.23 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 52.52 110.921 -179.874 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 73.02 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 73.5 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.42 110.873 -179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.158 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 73.24 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 72.53 110.881 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.89 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 63.33 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.41 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.21 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.146 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.45 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 75.12 110.873 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.4 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 75.04 110.911 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 74.15 110.93 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.44 111.17 179.892 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 74.31 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 72.11 110.914 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 101.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.45 110.812 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.97 36.19 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.886 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -170.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 74.53 110.867 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.929 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.835 0.35 . . . . 72.05 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.77 -172.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -108.65 -35.96 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 65.24 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.1 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.085 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 61.2 111.081 179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.905 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.33 110.947 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 72.31 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.122 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 74.21 111.096 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.13 112.31 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 71.12 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.2 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.938 -179.842 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 74.52 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.917 -179.874 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.136 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 74.31 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 75.42 110.903 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 75.14 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.5 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.54 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.43 111.161 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 73.32 110.879 179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.952 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.23 110.9 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 70.54 111.13 179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 75.52 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -60.21 -70.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.845 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 51.52 110.871 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -69.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 73.33 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 72.53 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.764 0.316 . . . . 74.12 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.58 50.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 71.12 110.941 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -70.41 -33.37 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 74.15 110.932 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.103 179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.919 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 73.21 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 75.32 111.145 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.939 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 73.3 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.44 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 72.34 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 63.31 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.04 110.967 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 75.32 110.936 -179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.155 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.865 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.55 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.34 110.939 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 75.11 110.892 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 75.2 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.12 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.31 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.148 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 71.11 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.905 179.872 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 75.35 110.9 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.154 179.86 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.54 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 86.21 3.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 51.31 110.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -113.41 38.95 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 71.44 110.845 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -78.43 -64.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 71.1 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.805 0.335 . . . . 64.34 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.16 -170.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.887 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -108.22 -35.73 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 74.44 111.138 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.52 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.128 179.772 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.906 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 70.53 110.871 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.12 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 74.23 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.13 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 73.03 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.44 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 70.14 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.12 110.932 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.54 111.105 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 75.4 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.13 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.22 110.864 -179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 71.13 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 74.4 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.12 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 65.32 110.919 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 72.14 111.142 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.54 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 72.25 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.935 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.134 179.898 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 75.51 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -70.87 83.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -71.94 -36.33 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 62.3 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.12 119.02 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.914 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 74.53 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.44 162.89 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -71.4 -35.34 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.861 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 71.42 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.52 111.196 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 73.1 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 72.23 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.918 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.943 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.03 111.097 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 72.41 110.914 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.31 111.145 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.24 112.37 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 75.21 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.965 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.13 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 75.11 110.94 -179.844 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.32 111.103 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 73.41 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.32 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.935 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 73.34 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.03 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.01 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 75.41 111.137 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.42 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 74.43 110.921 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 73.51 110.925 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.9 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -65.13 92.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 61.42 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -120.54 38.01 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 74.32 110.899 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -63.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.887 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 74.14 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.771 0.319 . . . . 74.52 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -151.89 -42.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 71.22 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt 73.31 -65.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 72.03 110.91 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.22 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 74.41 111.132 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 63.41 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.132 179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.873 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.917 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.31 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 75.23 111.102 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.907 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 75.14 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.24 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.895 -179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 75.5 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.963 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.53 111.128 179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 74.1 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 75.34 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 73.21 110.904 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 75.21 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.11 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 71.44 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.13 110.849 -179.848 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.45 111.162 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 71.23 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.876 179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 75.21 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.44 110.939 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.184 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 72.14 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.33 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -47.19 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 75.52 110.844 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.8 m -73.12 79.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 52.44 110.842 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.77 147.25 50.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.859 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.909 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 64.13 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 52.52 82.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.26 -36.75 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 72.44 110.877 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.34 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 74.54 111.14 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 75.11 110.905 179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.083 179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.891 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 73.24 110.9 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.4 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 75.25 111.09 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.933 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.33 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 63.03 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.93 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.11 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 64.34 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.913 -179.836 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 75.11 111.125 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 74.11 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.925 179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 75.31 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.53 111.15 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 71.04 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.886 179.91 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 73.22 110.918 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 74.32 110.882 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.34 111.116 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 74.31 110.916 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -88.46 87.14 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.12 110.841 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -114.73 54.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 54.32 110.885 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.98 115.62 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 62.24 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.77 0.319 . . . . 65.54 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -152.88 95.71 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.22 110.858 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -111.9 -36.05 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.901 179.898 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.13 179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 74.24 110.884 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.21 110.868 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 73.22 110.941 179.948 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 74.43 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 74.42 110.916 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.406 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.14 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.406 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.15 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.33 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 74.14 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 73.23 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 71.12 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.933 -179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.13 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.43 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 74.24 110.903 -179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 73.41 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 72.0 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.44 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.12 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 75.33 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.34 110.854 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 71.21 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 70.34 110.98 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.941 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 73.32 111.129 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 72.44 110.929 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -96.46 81.09 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 74.51 110.855 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.56 52.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.854 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 176.78 5.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.871 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 73.52 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 73.53 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.07 106.29 2.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 72.23 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 22.9 pttt -117.95 -35.85 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 74.52 110.932 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.43 111.113 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 75.35 110.927 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.52 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 74.14 110.922 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.45 110.861 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.04 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.4 110.973 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.31 111.149 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 71.21 112.342 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 74.23 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.15 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 74.51 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 72.03 110.93 -179.854 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.097 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 74.12 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.52 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.15 110.916 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 73.52 110.863 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 73.43 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 74.3 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.32 110.916 -179.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 71.03 111.138 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 71.54 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.52 110.884 179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 74.24 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 74.15 110.883 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.965 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 73.14 111.133 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.916 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p -81.43 67.69 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.895 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -93.09 58.15 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.11 110.858 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.74 -50.62 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 74.21 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.907 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.835 0.35 . . . . 75.43 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -132.51 -63.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.903 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.4 pttt -51.88 -42.57 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.899 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 61.55 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.41 111.091 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 73.41 110.935 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 73.43 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 71.32 110.894 179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 74.12 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.913 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 63.22 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.13 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 74.54 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 64.0 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.896 -179.839 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 74.31 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.45 110.94 -179.864 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 74.21 111.119 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 75.22 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 64.33 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 74.14 110.914 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 74.01 110.894 179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 74.45 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 75.02 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.11 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.169 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 72.55 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 63.14 110.918 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 74.11 110.891 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 73.23 110.943 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.22 111.164 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.01 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 74.32 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -55.44 -74.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m 57.5 48.08 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 74.4 110.858 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.03 128.24 53.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.838 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.959 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.796 0.331 . . . . 71.44 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -109.51 159.33 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 75.44 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 72.13 110.927 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 73.34 111.165 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 74.13 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.116 179.776 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 72.33 111.15 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.4 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.21 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 75.42 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.11 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 72.32 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 72.33 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 73.51 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 72.54 110.905 -179.837 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.098 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 63.52 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.53 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.898 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.21 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 72.22 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.03 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 74.55 111.122 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.45 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 64.14 110.888 179.903 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 71.51 110.913 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 75.12 111.127 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -59.93 -73.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.35 110.889 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m 58.41 36.31 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.866 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.59 -36.47 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.44 110.919 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.797 0.332 . . . . 72.3 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -122.9 -49.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -149.92 31.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 73.4 110.922 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 75.24 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.904 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 73.12 111.07 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.911 -179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.54 110.873 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 73.13 111.099 -179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.947 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.43 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.51 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 75.23 110.892 -179.847 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 73.52 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.916 -179.834 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.35 111.102 179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 75.23 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.54 110.914 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.4 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 72.23 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 75.33 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.35 111.158 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.44 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 75.33 110.889 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 74.32 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.2 110.89 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.899 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.097 179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -90.0 83.03 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 75.41 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -101.54 59.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.815 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.17 117.15 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 70.51 110.925 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.725 0.298 . . . . 55.31 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -140.84 149.49 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.3 110.87 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -167.15 -44.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 74.41 110.92 179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.35 111.142 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.928 179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.923 -179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 74.51 110.891 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.15 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.899 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.33 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 53.03 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.03 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 71.42 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 72.11 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 71.12 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 72.14 110.948 -179.836 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.13 111.128 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 75.35 110.913 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 74.4 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 72.23 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 62.2 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.44 110.853 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.128 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 72.44 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.14 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 74.15 110.925 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 71.45 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -61.23 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t 56.6 43.79 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 75.22 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -116.57 104.58 11.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 73.12 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.822 0.344 . . . . 72.34 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.35 42.96 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -115.93 -39.29 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.884 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 74.31 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 73.23 111.152 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.33 111.102 179.827 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 73.24 110.885 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 74.3 110.883 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 73.35 111.168 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 73.53 110.941 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 73.55 111.187 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.21 112.361 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 71.12 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 73.32 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.417 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 73.02 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 65.22 111.116 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.9 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 65.54 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 74.14 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.135 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 62.45 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.9 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 73.45 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 72.22 110.895 -179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.919 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.112 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 72.22 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -72.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t 62.93 38.09 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.838 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.7 171.64 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.861 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 74.25 110.936 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.807 0.337 . . . . 72.33 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -84.23 -173.93 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 1.2 pttp -123.79 33.45 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.908 179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 63.14 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 72.31 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 75.34 111.166 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.952 179.877 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 74.41 111.106 179.824 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 72.33 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 62.41 110.919 179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.161 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 74.11 110.906 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.05 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.54 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 61.1 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 75.41 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 70.12 111.113 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.03 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 72.31 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 73.33 110.929 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 72.45 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 72.3 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.35 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.44 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.13 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 74.43 111.172 179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 63.23 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.41 110.923 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.927 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.32 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 74.12 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t -81.7 86.18 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.55 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m -104.23 47.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.906 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.23 145.57 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 71.45 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.807 0.337 . . . . 75.43 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -82.33 135.72 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.33 110.889 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -178.94 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.893 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 64.2 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 72.11 111.112 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.933 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.42 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.9 -179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 75.0 110.895 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 75.42 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.933 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 73.14 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 73.44 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 74.33 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 74.13 110.915 -179.817 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 73.15 111.19 179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 73.03 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 72.41 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.895 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.25 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.1 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 74.41 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.42 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 74.11 110.856 -179.84 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 74.03 111.129 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 70.35 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 75.13 110.896 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 74.41 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 72.03 110.942 -179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.925 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 74.02 111.145 179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 64.53 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.907 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -70.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.93 39.01 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 72.51 110.872 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 109.2 11.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 74.34 110.831 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 72.42 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.788 0.327 . . . . 74.15 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -113.49 143.67 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -103.64 -35.06 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 73.22 110.897 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.42 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.12 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 75.42 111.132 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 73.14 110.904 179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.136 179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 73.24 110.903 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 75.05 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.22 111.109 179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 72.01 110.881 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' THR . . . . . 0.581 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 74.22 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . 0.581 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 73.12 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.41 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 74.3 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.973 -179.89 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.31 111.143 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 63.45 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 75.32 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.946 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 73.44 111.126 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.14 110.925 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 75.21 111.147 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.44 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.928 179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.43 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.953 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 75.32 110.927 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.177 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 74.52 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -69.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.02 39.47 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 75.55 110.858 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -125.53 129.26 49.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 70.24 110.919 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 73.03 110.9 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.756 0.312 . . . . 74.52 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -131.98 63.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.891 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 13.7 pttm -69.37 -34.49 74.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 75.22 110.862 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.01 111.138 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 74.24 110.917 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 73.14 111.115 179.799 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 71.23 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 75.11 110.905 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 73.22 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 74.02 111.112 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 74.31 110.903 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 70.21 111.191 179.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.23 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 74.14 111.178 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 63.43 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.43 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 73.14 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . 0.404 ' HA ' HD22 ' A' ' 25' ' ' LEU . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 75.15 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.404 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.23 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.839 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.12 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.35 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.11 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 71.35 111.124 -180.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 61.32 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 74.54 110.948 179.872 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 74.3 110.96 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.895 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.117 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 75.44 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.34 110.914 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -61.15 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 71.23 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 m 53.53 51.25 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 71.31 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.32 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.918 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.777 0.322 . . . . 73.54 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -131.82 -42.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 73.11 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt 73.39 -64.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 73.41 110.86 179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.149 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 74.44 110.92 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.071 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.909 -179.92 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.92 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 72.23 111.123 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 75.31 110.893 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.2 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 71.34 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 73.02 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.1 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 75.51 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 74.23 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 73.25 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.936 -179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' VAL . . . . . . . . . . . . . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 73.43 111.122 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 74.22 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 75.42 110.921 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.903 179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.45 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.05 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 70.22 110.905 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.148 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.867 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 72.5 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.898 -179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.878 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 75.34 111.13 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.12 110.916 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -64.78 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 74.21 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t 59.06 -87.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 63.52 110.877 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 69.52 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.35 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 75.12 110.947 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 7' ' ' LEU . 13.7 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.748 0.308 . . . . 75.430000000000007 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.549999999999997 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.150000000000006 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 31' ' ' ILE . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.113 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.751 HD12 ' OH ' ' A' ' 21' ' ' TYR . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.908 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 111.114 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 8' ' ' ALA . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 43.210000000000001 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 71.340000000000003 110.863 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.549999999999997 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.310000000000002 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.949 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.751 ' OH ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.430000000000007 110.88 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 36' ' ' TYR . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 63.009999999999998 111.132 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.140000000000001 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB ' ' A' ' 31' ' ' ILE . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.530000000000001 110.947 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 63.409999999999997 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 61.219999999999999 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 52.009999999999998 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.823 ' HB ' HD23 ' A' ' 25' ' ' LEU . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 42.140000000000001 111.112 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.73 ' O ' HD12 ' A' ' 37' ' ' ILE . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.895 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 62.329999999999998 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.329999999999998 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.731 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.901 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 111.159 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 42.009999999999998 110.88 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' A' ' 31' ' ' ILE . 52.7 mttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.75 0.31 . . . . 55.020000000000003 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 25' ' ' LEU . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 111.12 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.854 HD13 HD23 ' A' ' 35' ' ' LEU . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 62.149999999999999 110.952 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 64.219999999999999 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 63.32 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 110.96 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 74.209999999999994 111.153 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 64.129999999999995 112.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 45.32 110.921 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.099999999999994 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.549999999999997 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HD2' HG23 ' A' ' 22' ' ' VAL . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.873 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.775 ' HA ' HD22 ' A' ' 25' ' ' LEU . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.030000000000001 111.158 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 70.540000000000006 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.310000000000002 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.881 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 22' ' ' VAL . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.450000000000003 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 60.340000000000003 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.409999999999997 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.209999999999994 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.768 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 51.310000000000002 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.030000000000001 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.400000000000006 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.854 HD23 HD13 ' A' ' 7' ' ' LEU . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.519999999999996 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.693 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.93 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.439999999999998 111.17 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.030000000000001 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.695 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 70.540000000000006 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.149999999999999 110.812 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.765 0.317 . . . . 52.119999999999997 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.099999999999994 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 25' ' ' LEU . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 111.085 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 60.140000000000001 111.081 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.947 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.240000000000002 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.150000000000006 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 50.439999999999998 111.096 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.129999999999995 112.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 50.439999999999998 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.200000000000003 110.938 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.299999999999997 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 110.917 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.049999999999997 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.804 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.903 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.510000000000005 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.540000000000006 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.714 ' HB ' HD23 ' A' ' 25' ' ' LEU . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.430000000000007 111.161 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.109999999999999 110.952 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 65.329999999999998 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 65.219999999999999 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.845 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.763 0.316 . . . . 71.049999999999997 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.239999999999995 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.103 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HA ' HD21 ' A' ' 13' ' ' LEU . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.230000000000004 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 8' ' ' ALA . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 74.25 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.420000000000002 110.939 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 51.329999999999998 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.439999999999998 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.019999999999996 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 44.310000000000002 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.040000000000006 110.967 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.540000000000006 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 73.239999999999995 110.936 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HD22 ' A' ' 25' ' ' LEU . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.420000000000002 111.155 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.450000000000003 110.865 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.549999999999997 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 70.310000000000002 110.939 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 23' ' ' LYS . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.892 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.230000000000004 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.310000000000002 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.120000000000005 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 25' ' ' LEU . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 111.148 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 63.329999999999998 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.905 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 72.340000000000003 110.9 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 111.154 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 51.200000000000003 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 44.200000000000003 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 75.420000000000002 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.299999999999997 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.625 HD12 ' OE1' ' A' ' 30' ' ' GLU . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 65.230000000000004 111.138 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 111.128 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 12' ' ' VAL . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.906 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.130000000000003 110.871 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.010000000000005 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 110.924 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 55.450000000000003 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.129999999999995 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 62.109999999999999 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.909 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 61.340000000000003 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.120000000000005 110.932 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.540000000000006 111.105 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.129999999999995 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 110.864 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 54.409999999999997 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.239999999999995 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.119999999999997 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.625 ' OE1' HD12 ' A' ' 6' ' ' ILE . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 63.310000000000002 110.919 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.727 ' HB ' HD23 ' A' ' 25' ' ' LEU . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 51.32 111.142 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 64.329999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.310000000000002 110.935 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.722 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.913 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.540000000000006 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.86 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.737 0.303 . . . . 73.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.299999999999997 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.109999999999999 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 25' ' ' LEU . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 111.196 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 53.030000000000001 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 61.130000000000003 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 12' ' ' VAL . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.943 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.409999999999997 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 9' ' ' GLN . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.030000000000001 111.097 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 71.209999999999994 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.310000000000002 111.145 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.239999999999995 112.37 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.540000000000006 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 110.965 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.129999999999995 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 110.94 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 36' ' ' TYR . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.319999999999993 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.209999999999994 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 6' ' ' ILE . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.935 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 65.310000000000002 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.030000000000001 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.010000000000005 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.609 ' HB ' HD23 ' A' ' 25' ' ' LEU . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.137 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.319999999999993 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 55.109999999999999 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.925 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.439999999999998 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.446 HD23 ' NZ ' ' A' ' 10' ' ' LYS . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.040000000000006 110.9 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 51.240000000000002 110.907 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.723 0.297 . . . . 71.129999999999995 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.120000000000005 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.430000000000007 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 25' ' ' LEU . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 63.509999999999998 111.132 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 54.140000000000001 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.873 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.917 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.310000000000002 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 70.540000000000006 111.102 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.040000000000006 110.907 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 72.129999999999995 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.239999999999995 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.530000000000001 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.519999999999996 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.895 -179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 63.310000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 110.963 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.530000000000001 111.128 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 60.509999999999998 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 110.904 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 65.430000000000007 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 51.109999999999999 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.129999999999995 110.849 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.450000000000003 111.162 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 45.409999999999997 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.876 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.219999999999999 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' HB2' HG11 ' A' ' 22' ' ' VAL . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.230000000000004 110.939 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 111.184 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.25 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.329999999999998 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.420000000000002 110.844 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 70.420000000000002 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.340000000000003 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 31' ' ' ILE . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 45.43 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 39' ' ' LEU . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.150000000000006 111.083 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.472 ' O ' HG22 ' A' ' 12' ' ' VAL . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.209999999999994 110.891 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HA ' HD21 ' A' ' 13' ' ' LEU . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.439999999999998 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.209999999999994 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 111.09 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.329999999999998 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 43.439999999999998 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.93 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.109999999999999 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.450000000000003 110.913 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.821 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 71.030000000000001 111.125 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 72.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.549999999999997 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.925 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.400000000000006 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.340000000000003 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.120000000000005 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.715 ' HB ' HD23 ' A' ' 25' ' ' LEU . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.530000000000001 111.15 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.019999999999996 110.886 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.430000000000007 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 32.340000000000003 110.918 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.651 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 73.310000000000002 110.882 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.340000000000003 111.116 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.240000000000002 110.841 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 75.219999999999999 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 25' ' ' LEU . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 111.13 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.884 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' O ' HD22 ' A' ' 13' ' ' LEU . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 62.219999999999999 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 53.310000000000002 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.916 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.140000000000001 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.150000000000006 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.329999999999998 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.340000000000003 110.933 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 36' ' ' TYR . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.13 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.450000000000003 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 6' ' ' ILE . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 43.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 65.140000000000001 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.350000000000001 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 55.520000000000003 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.439999999999998 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 25' ' ' LEU . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.340000000000003 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.239999999999995 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.854 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 62.450000000000003 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 64.150000000000006 110.98 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.621 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 111.129 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.230000000000004 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.403 HD23 ' HD3' ' A' ' 10' ' ' LYS . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 65.340000000000003 110.929 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 110.855 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.64 ' HA ' HD11 ' A' ' 31' ' ' ILE . 22.9 pttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.708 0.289 . . . . 71.219999999999999 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 25' ' ' LEU . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.109999999999999 111.113 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 35' ' ' LEU . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' LEU . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.510000000000005 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.340000000000003 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 55.219999999999999 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.973 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.404 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.310000000000002 111.149 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 42.229999999999997 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 61.439999999999998 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.150000000000006 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 71.450000000000003 110.93 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.829 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.099999999999994 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.150000000000006 110.916 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 22' ' ' VAL . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.200000000000003 110.863 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.209999999999994 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.916 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.811 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 61.009999999999998 111.138 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.310000000000002 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 37' ' ' ILE . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 64.319999999999993 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 70.329999999999998 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.450000000000003 110.883 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.696 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.965 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 54.420000000000002 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.540000000000006 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 110.916 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.099999999999994 110.895 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.742 0.306 . . . . 74.329999999999998 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 54.109999999999999 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.729 HD12 HD11 ' A' ' 25' ' ' LEU . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.091 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.651 HD22 ' OH ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 72.109999999999999 110.935 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 70.319999999999993 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 64.230000000000004 110.894 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 64.25 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 110.913 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 52.25 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.129999999999995 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 53.5 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.896 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 65.140000000000001 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.651 ' OH ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.94 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 70.200000000000003 111.119 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.119999999999997 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.806 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.439999999999998 110.914 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 22' ' ' VAL . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.209999999999994 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.299999999999997 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 71.329999999999998 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.109999999999999 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.803 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.169 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 71.120000000000005 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.693 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.43 110.918 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.239999999999995 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.891 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.728 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 52.329999999999998 110.943 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.219999999999999 111.164 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.010000000000005 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.450000000000003 110.871 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.763 0.316 . . . . 54.530000000000001 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.437 HD11 HD11 ' A' ' 25' ' ' LEU . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 54.420000000000002 111.165 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 60.109999999999999 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.116 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.340000000000003 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 64.420000000000002 111.15 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.109999999999999 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.209999999999994 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 71.319999999999993 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 71.310000000000002 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.019999999999996 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 41.130000000000003 110.905 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.817 ' HA ' HD22 ' A' ' 25' ' ' LEU . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 111.098 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.119999999999997 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 45.229999999999997 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.030000000000001 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.756 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 52.450000000000003 111.122 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 61.149999999999999 110.888 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.439999999999998 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.704 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.913 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 61.049999999999997 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.349999999999994 110.889 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HB2' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 72.040000000000006 110.922 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.030000000000001 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 35.299999999999997 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.904 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 61.020000000000003 111.07 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.010000000000005 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 7' ' ' LEU . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.873 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 53.399999999999999 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.420000000000002 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.420000000000002 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.030000000000001 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.892 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 64.150000000000006 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 110.916 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.802 ' HA ' HD22 ' A' ' 25' ' ' LEU . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.349999999999994 111.102 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.914 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 35.219999999999999 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 70.450000000000003 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.787 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.349999999999994 111.158 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.329999999999998 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.200000000000003 110.89 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.605 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 111.097 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 53.439999999999998 110.874 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 63.119999999999997 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.340000000000003 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 31' ' ' ILE . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.349999999999994 111.142 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.928 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.439999999999998 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.923 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' CD ' HD13 ' A' ' 7' ' ' LEU . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.539999999999999 110.891 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.120000000000005 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 9' ' ' GLN . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.899 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.329999999999998 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 52.420000000000002 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.510000000000005 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 60.009999999999998 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.569 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.209999999999994 110.948 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.721 ' HA ' HD22 ' A' ' 25' ' ' LEU . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.049999999999997 111.128 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.310000000000002 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 71.340000000000003 110.913 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 63.399999999999999 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.230000000000004 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.439999999999998 110.853 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.019999999999996 111.128 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.340000000000003 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 70.409999999999997 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 70.510000000000005 110.925 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 64.120000000000005 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.430000000000007 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.741 0.305 . . . . 73.510000000000005 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 25' ' ' LEU . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.129999999999995 111.152 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.635 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.329999999999998 111.102 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' O ' HG22 ' A' ' 12' ' ' VAL . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 62.340000000000003 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 65.129999999999995 110.883 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 63.350000000000001 111.168 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 10' ' ' LYS . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.941 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 63.420000000000002 111.187 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.209999999999994 112.361 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 65.299999999999997 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 72.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.329999999999998 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.299999999999997 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 62.219999999999999 111.116 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.239999999999995 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.040000000000006 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.150000000000006 110.9 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.409999999999997 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.230000000000004 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 52.049999999999997 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 111.135 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 60.130000000000003 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.409999999999997 110.9 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.430000000000007 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.510000000000005 110.895 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 110.919 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.400000000000006 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.140000000000001 110.827 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' A' ' 35' ' ' LEU . 1.2 pttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 75.530000000000001 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 64.420000000000002 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD11 ' A' ' 25' ' ' LEU . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.409 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.549999999999997 110.952 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 53.310000000000002 111.106 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.239999999999995 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 54.299999999999997 110.919 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.409999999999997 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' ALA . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.906 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.049999999999997 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.340000000000003 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 44.020000000000003 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.439999999999998 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.855 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.340000000000003 111.113 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.030000000000001 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.350000000000001 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.929 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.420000000000002 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.350000000000001 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.439999999999998 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.129999999999995 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.801 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 51.520000000000003 111.172 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 60.340000000000003 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.049999999999997 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 31' ' ' ILE . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.923 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.409 ' HB2' HG11 ' A' ' 22' ' ' VAL . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.927 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.319999999999993 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.400000000000006 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.019999999999996 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.549999999999997 110.867 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.737 0.303 . . . . 75.0 110.893 . . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 61.210000000000001 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.209999999999994 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.821 HD11 HD11 ' A' ' 25' ' ' LEU . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 62.43 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 10' ' ' LYS . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.140000000000001 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 13' ' ' LEU . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.030000000000001 110.9 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HG2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.895 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 9' ' ' GLN . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.439999999999998 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 72.200000000000003 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 54.109999999999999 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 60.0 110.915 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.779 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.239999999999995 111.19 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 53.240000000000002 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HD11 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 60.130000000000003 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 70.319999999999993 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.420000000000002 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 63.509999999999998 110.856 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 25' ' ' LEU . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 65.530000000000001 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 54.229999999999997 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.209999999999994 110.896 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 62.409999999999997 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 45.329999999999998 110.942 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.614 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.349999999999994 110.925 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 70.329999999999998 111.145 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 54.439999999999998 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.714 0.292 . . . . 63.009999999999998 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.319999999999993 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.921 HG21 HD11 ' A' ' 31' ' ' ILE . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.904 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.136 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 43.020000000000003 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ALA . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 111.109 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.120000000000005 110.881 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.605 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 73.129999999999995 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 71.420000000000002 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.340000000000003 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.230000000000004 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.310000000000002 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.310000000000002 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.549999999999997 110.973 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.79 ' HA ' HD22 ' A' ' 25' ' ' LEU . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.310000000000002 111.143 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 61.310000000000002 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.540000000000006 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.883 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.040000000000006 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.402 HD11 ' HG2' ' A' ' 30' ' ' GLU . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 70.129999999999995 111.126 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.310000000000002 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.140000000000001 110.925 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 6' ' ' ILE . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.140000000000001 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 110.928 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.430000000000007 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.953 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 110.927 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 111.177 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 62.299999999999997 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 13.7 pttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.734 0.302 . . . . 65.099999999999994 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 3' ' ' LYS . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.917 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 62.43 111.115 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 65.219999999999999 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.905 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 60.520000000000003 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' ALA . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.340000000000003 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 62.509999999999998 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 63.399999999999999 111.191 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.230000000000004 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 16' ' ' ILE . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 70.239999999999995 111.178 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 50.539999999999999 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.420000000000002 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.149999999999999 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.510000000000005 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CD2' HG23 ' A' ' 22' ' ' VAL . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.946 HG13 HD11 ' A' ' 31' ' ' ILE . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 52.119999999999997 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.915 HD23 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.530000000000001 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' A' ' 22' ' ' VAL . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.340000000000003 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.120000000000005 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.350000000000001 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.109999999999999 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.946 HD11 HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.549999999999997 111.124 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 52.219999999999999 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 110.948 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 7' ' ' LEU . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 73.239999999999995 110.96 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.099999999999994 110.895 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.430000000000007 111.117 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.340000000000003 110.914 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 55.439999999999998 110.904 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 7' ' ' LEU . 12.5 ttmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.686 0.279 . . . . 64.349999999999994 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.230000000000004 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' ILE . . . . . 0.672 HG21 HD11 ' A' ' 31' ' ' ILE . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 7' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.319999999999993 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 111.071 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 13' ' ' LEU . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.552 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.149999999999999 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 62.299999999999997 111.123 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.200000000000003 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 70.530000000000001 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.25 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 73.519999999999996 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.539999999999999 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.936 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 22' ' ' VAL . . . . . 0.766 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 70.540000000000006 111.122 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.519999999999996 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 64.219999999999999 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 110.921 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 22' ' ' VAL . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.903 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.530000000000001 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.049999999999997 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HB3' HD12 ' A' ' 31' ' ' ILE . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 61.43 110.905 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 6' ' ' ILE . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 110.867 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 54.240000000000002 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.898 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 110.878 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 65.019999999999996 111.13 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.120000000000005 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 62.539999999999999 110.849 -179.914 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.771 0.319 . . . . 72.219999999999999 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -115.62 54.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.510000000000005 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 7' ' ' LEU . 13.7 pttt -99.9 -34.67 10.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.430000000000007 110.892 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.549999999999997 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.150000000000006 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 31' ' ' ILE . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.409999999999997 111.113 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.751 HD12 ' OH ' ' A' ' 21' ' ' TYR . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 73.400000000000006 110.908 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 111.114 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.219999999999999 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.439999999999998 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 8' ' ' ALA . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 43.210000000000001 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 71.340000000000003 110.863 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.549999999999997 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.310000000000002 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.319999999999993 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.439999999999998 110.949 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.099999999999994 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.340000000000003 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.751 ' OH ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.430000000000007 110.88 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 36' ' ' TYR . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 63.009999999999998 111.132 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.140000000000001 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB ' ' A' ' 31' ' ' ILE . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.530000000000001 110.947 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.140000000000001 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 63.409999999999997 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 61.219999999999999 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 52.009999999999998 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.823 ' HB ' HD23 ' A' ' 25' ' ' LEU . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 42.140000000000001 111.112 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.310000000000002 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.73 ' O ' HD12 ' A' ' 37' ' ' ILE . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 110.895 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 62.329999999999998 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.329999999999998 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.731 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.129999999999995 110.901 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.109999999999999 111.159 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.420000000000002 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -59.33 99.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 42.009999999999998 110.88 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 p -121.21 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.099999999999994 110.853 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.48 149.7 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 62.340000000000003 110.838 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 52.409999999999997 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.775 0.321 . . . . 73.209999999999994 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -117.67 160.89 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.856 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' A' ' 31' ' ' ILE . 52.7 mttp -69.15 -33.04 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 55.020000000000003 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.420000000000002 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.019999999999996 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 25' ' ' LEU . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.329999999999998 111.12 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.854 HD13 HD23 ' A' ' 35' ' ' LEU . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 62.149999999999999 110.952 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 64.219999999999999 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.329999999999998 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.430000000000007 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 63.32 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.519999999999996 110.96 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 74.209999999999994 111.153 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 64.129999999999995 112.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.140000000000001 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.109999999999999 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 45.32 110.921 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.099999999999994 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.549999999999997 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HD2' HG23 ' A' ' 22' ' ' VAL . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.109999999999999 110.873 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.775 ' HA ' HD22 ' A' ' 25' ' ' LEU . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.030000000000001 111.158 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 70.540000000000006 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.310000000000002 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.881 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 22' ' ' VAL . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.450000000000003 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 60.340000000000003 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.409999999999997 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.209999999999994 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.768 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.109999999999999 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 51.310000000000002 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.030000000000001 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.400000000000006 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.854 HD23 HD13 ' A' ' 7' ' ' LEU . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.519999999999996 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.693 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 72.439999999999998 110.93 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.439999999999998 111.17 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.030000000000001 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.695 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 70.540000000000006 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 101.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.149999999999999 110.812 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.97 36.19 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.540000000000006 110.886 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -170.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 74.530000000000001 110.867 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.430000000000007 110.929 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.835 0.35 . . . . 72.049999999999997 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.77 -172.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.349999999999994 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -108.65 -35.96 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 52.119999999999997 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.099999999999994 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 25' ' ' LEU . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.200000000000003 111.085 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.319999999999993 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 60.140000000000001 111.081 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.129999999999995 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.947 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.240000000000002 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.150000000000006 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 50.439999999999998 111.096 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.129999999999995 112.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 64.430000000000007 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 50.439999999999998 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.200000000000003 110.938 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.299999999999997 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.409999999999997 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.230000000000004 110.917 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.049999999999997 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.409999999999997 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.230000000000004 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.804 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.129999999999995 110.903 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.349999999999994 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.099999999999994 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.510000000000005 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.439999999999998 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.540000000000006 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.714 ' HB ' HD23 ' A' ' 25' ' ' LEU . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.430000000000007 111.161 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.430000000000007 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.349999999999994 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.109999999999999 110.952 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 65.329999999999998 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 65.219999999999999 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.239999999999995 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 62.439999999999998 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -60.21 -70.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.099999999999994 110.845 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 51.520000000000003 110.871 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -69.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.219999999999999 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 71.340000000000003 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.764 0.316 . . . . 74.120000000000005 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.58 50.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 71.120000000000005 110.941 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -70.41 -33.37 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 71.049999999999997 110.932 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.219999999999999 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.239999999999995 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.129999999999995 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.219999999999999 111.103 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.219999999999999 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HA ' HD21 ' A' ' 13' ' ' LEU . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.230000000000004 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.230000000000004 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 8' ' ' ALA . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 74.25 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.420000000000002 110.939 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 51.329999999999998 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.439999999999998 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.019999999999996 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 44.310000000000002 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.040000000000006 110.967 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.540000000000006 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 73.239999999999995 110.936 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HD22 ' A' ' 25' ' ' LEU . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.420000000000002 111.155 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.450000000000003 110.865 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.549999999999997 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 70.310000000000002 110.939 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 23' ' ' LYS . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 64.329999999999998 110.892 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.230000000000004 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.310000000000002 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.120000000000005 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 25' ' ' LEU . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 111.148 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 63.329999999999998 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.200000000000003 110.905 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 72.340000000000003 110.9 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.099999999999994 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.400000000000006 111.154 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 51.200000000000003 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 86.21 3.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 44.200000000000003 110.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -113.41 38.95 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 71.239999999999995 110.845 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -78.43 -64.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 71.099999999999994 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.805 0.335 . . . . 64.340000000000003 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.16 -170.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.209999999999994 110.887 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -108.22 -35.73 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.420000000000002 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.299999999999997 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.625 HD12 ' OE1' ' A' ' 30' ' ' GLU . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 65.230000000000004 111.138 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.120000000000005 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.510000000000005 111.128 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 12' ' ' VAL . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.906 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.130000000000003 110.871 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.010000000000005 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.120000000000005 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.430000000000007 110.924 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 55.450000000000003 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.129999999999995 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 62.109999999999999 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.120000000000005 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.439999999999998 110.909 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.319999999999993 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 61.340000000000003 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.120000000000005 110.932 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.540000000000006 111.105 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 74.530000000000001 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.129999999999995 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.120000000000005 110.864 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.310000000000002 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 54.409999999999997 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.239999999999995 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.119999999999997 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.625 ' OE1' HD12 ' A' ' 6' ' ' ILE . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 63.310000000000002 110.919 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.727 ' HB ' HD23 ' A' ' 25' ' ' LEU . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 51.32 111.142 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.540000000000006 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 64.329999999999998 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.310000000000002 110.935 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.722 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.230000000000004 110.913 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.310000000000002 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.540000000000006 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.040000000000006 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -70.87 83.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.420000000000002 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -71.94 -36.33 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 62.299999999999997 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.12 119.02 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 72.230000000000004 110.859 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 52.310000000000002 110.914 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 74.120000000000005 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.44 162.89 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -71.4 -35.34 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.861 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.299999999999997 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.109999999999999 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 25' ' ' LEU . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.329999999999998 111.196 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 53.030000000000001 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 61.130000000000003 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 12' ' ' VAL . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.310000000000002 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.209999999999994 110.943 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.409999999999997 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 9' ' ' GLN . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.030000000000001 111.097 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 71.209999999999994 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.310000000000002 111.145 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.239999999999995 112.37 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.420000000000002 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.540000000000006 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.140000000000001 110.965 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.129999999999995 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.040000000000006 110.94 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 36' ' ' TYR . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.319999999999993 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.209999999999994 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 6' ' ' ILE . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.935 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.010000000000005 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 65.310000000000002 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.030000000000001 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.010000000000005 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' HB ' HD23 ' A' ' 25' ' ' LEU . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.137 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.109999999999999 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.030000000000001 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.319999999999993 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 55.109999999999999 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.925 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.439999999999998 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.120000000000005 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.446 HD23 ' NZ ' ' A' ' 10' ' ' LYS . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.040000000000006 110.9 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -65.13 92.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 51.240000000000002 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -120.54 38.01 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 65.329999999999998 110.899 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -63.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 110.887 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 44.240000000000002 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.771 0.319 . . . . 74.519999999999996 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -151.89 -42.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 70.400000000000006 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt 73.31 -65.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.91 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.120000000000005 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.430000000000007 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 25' ' ' LEU . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 63.509999999999998 111.132 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 54.140000000000001 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.329999999999998 110.873 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.917 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.310000000000002 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 70.540000000000006 111.102 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.040000000000006 110.907 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 72.129999999999995 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.239999999999995 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.530000000000001 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.519999999999996 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.895 -179.824 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.209999999999994 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 63.310000000000002 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 110.963 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.530000000000001 111.128 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.430000000000007 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 60.509999999999998 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.319999999999993 110.904 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 65.430000000000007 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.030000000000001 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 51.109999999999999 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.129999999999995 110.849 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.450000000000003 111.162 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 45.409999999999997 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.200000000000003 110.876 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.219999999999999 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 63.119999999999997 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' HB2' HG11 ' A' ' 22' ' ' VAL . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.230000000000004 110.939 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.219999999999999 111.184 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.25 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.329999999999998 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -47.19 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.420000000000002 110.844 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.8 m -73.12 79.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 45.520000000000003 110.842 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.77 147.25 50.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.140000000000001 110.859 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 44.229999999999997 110.909 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 61.43 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 52.52 82.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.340000000000003 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -123.26 -36.75 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.420000000000002 110.877 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.340000000000003 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 31' ' ' ILE . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 45.43 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 39' ' ' LEU . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.519999999999996 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.150000000000006 111.083 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.472 ' O ' HG22 ' A' ' 12' ' ' VAL . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.209999999999994 110.891 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HA ' HD21 ' A' ' 13' ' ' LEU . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.439999999999998 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.209999999999994 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.209999999999994 111.09 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.329999999999998 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 43.439999999999998 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.219999999999999 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.430000000000007 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.93 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.109999999999999 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 62.130000000000003 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.450000000000003 110.913 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.821 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 71.030000000000001 111.125 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 72.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.549999999999997 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.519999999999996 110.925 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.140000000000001 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.400000000000006 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.340000000000003 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.120000000000005 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.715 ' HB ' HD23 ' A' ' 25' ' ' LEU . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.530000000000001 111.15 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.109999999999999 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.019999999999996 110.886 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.430000000000007 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 32.340000000000003 110.918 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.651 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 73.310000000000002 110.882 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.340000000000003 111.116 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.319999999999993 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -88.46 87.14 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.240000000000002 110.841 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -114.73 54.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 54.32 110.885 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.98 115.62 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 75.219999999999999 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 54.32 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.77 0.319 . . . . 65.540000000000006 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -152.88 95.71 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.219999999999999 110.858 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.9 -36.05 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.219999999999999 110.901 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.319999999999993 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.239999999999995 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 25' ' ' LEU . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.510000000000005 111.13 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.430000000000007 110.884 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' O ' HD22 ' A' ' 13' ' ' LEU . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 62.219999999999999 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.430000000000007 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 53.310000000000002 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.916 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.140000000000001 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.150000000000006 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 65.400000000000006 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.329999999999998 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.340000000000003 110.933 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 36' ' ' TYR . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 111.13 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.329999999999998 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.450000000000003 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 6' ' ' ILE . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 43.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 65.140000000000001 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.350000000000001 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.219999999999999 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 55.520000000000003 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.439999999999998 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 25' ' ' LEU . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.340000000000003 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.239999999999995 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.109999999999999 110.854 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 62.450000000000003 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 64.150000000000006 110.98 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.621 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.150000000000006 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 62.119999999999997 111.129 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.230000000000004 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD23 ' HD3' ' A' ' 10' ' ' LYS . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 65.340000000000003 110.929 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -96.46 81.09 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.310000000000002 110.855 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.56 52.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.349999999999994 110.854 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 176.78 5.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 73.530000000000001 110.871 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 73.219999999999999 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 71.540000000000006 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.07 106.29 2.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 62.420000000000002 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.64 ' HA ' HD11 ' A' ' 31' ' ' ILE . 22.9 pttt -117.95 -35.85 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.219999999999999 110.932 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.519999999999996 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.420000000000002 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 25' ' ' LEU . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.109999999999999 111.113 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 35' ' ' LEU . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 72.129999999999995 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.230000000000004 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' LEU . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.510000000000005 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.230000000000004 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.340000000000003 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 55.219999999999999 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.973 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.404 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.310000000000002 111.149 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 42.229999999999997 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 61.439999999999998 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.150000000000006 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.409999999999997 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.420000000000002 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.019999999999996 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 71.450000000000003 110.93 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.829 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.099999999999994 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.430000000000007 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.340000000000003 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.150000000000006 110.916 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 22' ' ' VAL . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.200000000000003 110.863 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 71.329999999999998 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.209999999999994 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.916 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.811 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 61.009999999999998 111.138 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.310000000000002 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 37' ' ' ILE . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 64.319999999999993 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 70.329999999999998 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.450000000000003 110.883 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.696 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 110.965 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 54.420000000000002 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.540000000000006 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.450000000000003 110.916 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p -81.43 67.69 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.099999999999994 110.895 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -93.09 58.15 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.109999999999999 110.858 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.74 -50.62 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.439999999999998 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.219999999999999 110.907 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.835 0.35 . . . . 62.100000000000001 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -132.51 -63.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.099999999999994 110.903 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 pttt -51.88 -42.57 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.329999999999998 110.899 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.150000000000006 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 54.109999999999999 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.729 HD12 HD11 ' A' ' 25' ' ' LEU . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.091 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.651 HD22 ' OH ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 72.109999999999999 110.935 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 70.319999999999993 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 64.230000000000004 110.894 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 64.25 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.439999999999998 110.913 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 52.25 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.129999999999995 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 64.340000000000003 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 53.5 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.439999999999998 110.896 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 65.140000000000001 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.150000000000006 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.651 ' OH ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.150000000000006 110.94 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 70.200000000000003 111.119 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.119999999999997 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.806 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.439999999999998 110.914 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 22' ' ' VAL . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.209999999999994 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.299999999999997 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.140000000000001 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 71.329999999999998 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.109999999999999 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.803 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.340000000000003 111.169 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 71.120000000000005 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.693 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.43 110.918 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.239999999999995 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.340000000000003 110.891 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.728 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 52.329999999999998 110.943 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.219999999999999 111.164 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.010000000000005 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -55.44 -74.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.450000000000003 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m 57.5 48.08 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 50.109999999999999 110.858 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.03 128.24 53.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 71.010000000000005 110.838 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.420000000000002 110.959 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.796 0.331 . . . . 71.439999999999998 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -109.51 159.33 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.019999999999996 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.530000000000001 110.927 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.209999999999994 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.439999999999998 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.437 HD11 HD11 ' A' ' 25' ' ' LEU . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 54.420000000000002 111.165 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 60.109999999999999 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.430000000000007 111.116 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.400000000000006 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.340000000000003 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 64.420000000000002 111.15 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.109999999999999 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.209999999999994 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 71.319999999999993 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.109999999999999 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 71.310000000000002 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.019999999999996 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 41.130000000000003 110.905 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.817 ' HA ' HD22 ' A' ' 25' ' ' LEU . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.019999999999996 111.098 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 62.299999999999997 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.150000000000006 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.239999999999995 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.049999999999997 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.129999999999995 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.119999999999997 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 45.229999999999997 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.030000000000001 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.756 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 52.450000000000003 111.122 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 61.149999999999999 110.888 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.540000000000006 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.439999999999998 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.704 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.913 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 61.049999999999997 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.510000000000005 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -59.93 -73.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.349999999999994 110.889 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m 58.41 36.31 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.866 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.59 -36.47 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 73.519999999999996 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.919 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.797 0.332 . . . . 65.209999999999994 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -122.9 -49.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HB2' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -149.92 31.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.040000000000006 110.922 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.030000000000001 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 35.299999999999997 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.310000000000002 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.549999999999997 110.904 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 61.020000000000003 111.07 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.010000000000005 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 7' ' ' LEU . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.873 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 53.399999999999999 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.420000000000002 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.420000000000002 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.030000000000001 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.230000000000004 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 110.892 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 64.150000000000006 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 110.916 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.802 ' HA ' HD22 ' A' ' 25' ' ' LEU . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.349999999999994 111.102 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.510000000000005 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.310000000000002 110.914 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.310000000000002 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 35.219999999999999 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 70.450000000000003 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.787 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.349999999999994 111.158 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.030000000000001 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.329999999999998 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.200000000000003 110.89 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.605 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.409999999999997 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.329999999999998 111.097 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.219999999999999 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.120000000000005 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -90.0 83.03 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 53.439999999999998 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -101.54 59.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.530000000000001 110.815 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.17 117.15 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 74.349999999999994 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 45.030000000000001 110.925 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.725 0.298 . . . . 55.310000000000002 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -140.84 149.49 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.299999999999997 110.87 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -167.15 -44.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 63.119999999999997 110.92 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.340000000000003 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 31' ' ' ILE . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.349999999999994 111.142 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.928 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.439999999999998 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.209999999999994 110.923 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' CD ' HD13 ' A' ' 7' ' ' LEU . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.539999999999999 110.891 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.120000000000005 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.150000000000006 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 9' ' ' GLN . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.319999999999993 110.899 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.329999999999998 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 52.420000000000002 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.030000000000001 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 63.420000000000002 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.510000000000005 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 60.009999999999998 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.430000000000007 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.569 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.209999999999994 110.948 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.721 ' HA ' HD22 ' A' ' 25' ' ' LEU . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.049999999999997 111.128 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.310000000000002 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.099999999999994 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 71.340000000000003 110.913 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 63.399999999999999 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.230000000000004 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.420000000000002 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.439999999999998 110.853 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.019999999999996 111.128 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.340000000000003 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 70.409999999999997 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 70.510000000000005 110.925 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 64.120000000000005 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.030000000000001 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -61.23 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.430000000000007 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t 56.6 43.79 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 75.219999999999999 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -116.57 104.58 11.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 72.310000000000002 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.822 0.344 . . . . 72.340000000000003 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.35 42.96 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -115.93 -39.29 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.510000000000005 110.884 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.129999999999995 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 25' ' ' LEU . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.129999999999995 111.152 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.230000000000004 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.635 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.329999999999998 111.102 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' O ' HG22 ' A' ' 12' ' ' VAL . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 62.340000000000003 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 65.129999999999995 110.883 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.099999999999994 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 63.350000000000001 111.168 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 10' ' ' LYS . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.219999999999999 110.941 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 63.420000000000002 111.187 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.209999999999994 112.361 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 65.299999999999997 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 72.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.329999999999998 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.420000000000002 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.299999999999997 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 62.219999999999999 111.116 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.239999999999995 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.040000000000006 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.150000000000006 110.9 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.409999999999997 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.230000000000004 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 52.049999999999997 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 72.219999999999999 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.439999999999998 111.135 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 60.130000000000003 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.409999999999997 110.9 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.430000000000007 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.510000000000005 110.895 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.129999999999995 110.919 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.400000000000006 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.409999999999997 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -72.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.140000000000001 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t 62.93 38.09 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 72.430000000000007 110.838 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.7 171.64 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 71.109999999999999 110.861 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 65.329999999999998 110.936 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.807 0.337 . . . . 72.329999999999998 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -84.23 -173.93 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.450000000000003 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' A' ' 35' ' ' LEU . 1.2 pttp -123.79 33.45 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 75.530000000000001 110.908 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 50.6 p-80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 64.420000000000002 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD11 ' A' ' 25' ' ' LEU . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.329999999999998 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.549999999999997 110.952 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 53.310000000000002 111.106 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.239999999999995 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 54.299999999999997 110.919 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.409999999999997 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' ALA . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.340000000000003 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.906 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.049999999999997 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.239999999999995 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.340000000000003 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.409999999999997 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 44.020000000000003 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.439999999999998 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.855 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.340000000000003 111.113 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.030000000000001 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.350000000000001 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.329999999999998 110.929 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.420000000000002 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.420000000000002 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.350000000000001 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.439999999999998 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.129999999999995 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.801 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 51.520000000000003 111.172 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.140000000000001 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 60.340000000000003 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.049999999999997 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 31' ' ' ILE . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.409999999999997 110.923 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.409 ' HB2' HG11 ' A' ' 22' ' ' VAL . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.239999999999995 110.927 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.319999999999993 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.400000000000006 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.019999999999996 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t -81.7 86.18 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.549999999999997 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m -104.23 47.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.540000000000006 110.906 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.23 145.57 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 65.099999999999994 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.400000000000006 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.807 0.337 . . . . 74.019999999999996 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -82.33 135.72 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 110.889 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -178.94 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 61.210000000000001 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.209999999999994 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.821 HD11 HD11 ' A' ' 25' ' ' LEU . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 62.43 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 10' ' ' LYS . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.310000000000002 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.140000000000001 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 13' ' ' LEU . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.030000000000001 110.9 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HG2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.219999999999999 110.895 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 9' ' ' GLN . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.439999999999998 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 72.200000000000003 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.239999999999995 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.299999999999997 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 54.109999999999999 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 72.450000000000003 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 60.0 110.915 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.779 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.239999999999995 111.19 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 53.240000000000002 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 63.420000000000002 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HD11 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.439999999999998 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.310000000000002 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 60.130000000000003 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 70.319999999999993 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.420000000000002 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 63.509999999999998 110.856 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 25' ' ' LEU . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 65.530000000000001 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 54.229999999999997 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.209999999999994 110.896 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 62.409999999999997 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 45.329999999999998 110.942 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.614 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.349999999999994 110.925 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 70.329999999999998 111.145 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 54.439999999999998 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -70.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.93 39.01 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 64.310000000000002 110.872 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 109.2 11.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 74.340000000000003 110.831 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 64.019999999999996 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.788 0.327 . . . . 74.150000000000006 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -113.49 143.67 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -103.64 -35.06 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.009999999999998 110.897 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.319999999999993 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.921 HG21 HD11 ' A' ' 31' ' ' ILE . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 71.120000000000005 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.150000000000006 110.904 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 111.136 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 64.310000000000002 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 43.020000000000003 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.219999999999999 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ALA . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.219999999999999 111.109 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.120000000000005 110.881 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.605 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 73.129999999999995 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 71.420000000000002 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.340000000000003 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.230000000000004 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.310000000000002 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.310000000000002 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.549999999999997 110.973 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.79 ' HA ' HD22 ' A' ' 25' ' ' LEU . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.310000000000002 111.143 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 61.310000000000002 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.540000000000006 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.883 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.439999999999998 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.040000000000006 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.402 HD11 ' HG2' ' A' ' 30' ' ' GLU . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 70.129999999999995 111.126 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.310000000000002 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.140000000000001 110.925 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 6' ' ' ILE . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.510000000000005 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.140000000000001 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.150000000000006 110.928 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.430000000000007 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.953 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 110.927 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.209999999999994 111.177 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 62.299999999999997 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.430000000000007 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -69.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.882 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.02 39.47 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 52.140000000000001 110.858 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -125.53 129.26 49.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 70.239999999999995 110.919 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 70.439999999999998 110.9 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.756 0.312 . . . . 73.200000000000003 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -131.98 63.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 74.209999999999994 110.891 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 13.7 pttm -69.37 -34.49 74.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 65.099999999999994 110.862 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.239999999999995 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.439999999999998 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 3' ' ' LYS . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 110.917 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 62.43 111.115 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 65.219999999999999 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.439999999999998 110.905 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 60.520000000000003 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' ALA . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.340000000000003 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 62.509999999999998 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 63.399999999999999 111.191 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.230000000000004 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 16' ' ' ILE . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 70.239999999999995 111.178 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 50.539999999999999 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.420000000000002 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.149999999999999 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.510000000000005 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CD2' HG23 ' A' ' 22' ' ' VAL . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.946 HG13 HD11 ' A' ' 31' ' ' ILE . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.340000000000003 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.420000000000002 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 52.119999999999997 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.915 HD23 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.530000000000001 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' A' ' 22' ' ' VAL . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.109999999999999 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.340000000000003 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.120000000000005 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.350000000000001 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.109999999999999 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.946 HD11 HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.549999999999997 111.124 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 52.219999999999999 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.150000000000006 110.948 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.150000000000006 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 7' ' ' LEU . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 73.239999999999995 110.96 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.099999999999994 110.895 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.430000000000007 111.117 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 65.530000000000001 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.340000000000003 110.914 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -61.15 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 55.439999999999998 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 m 53.53 51.25 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 55.439999999999998 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.319999999999993 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 62.439999999999998 110.918 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.777 0.322 . . . . 33.200000000000003 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -131.82 -42.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 71.209999999999994 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 7' ' ' LEU . 12.5 ttmt 73.39 -64.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 64.349999999999994 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.230000000000004 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' ILE . . . . . 0.672 HG21 HD11 ' A' ' 31' ' ' ILE . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.239999999999995 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 7' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.319999999999993 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 111.071 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 13' ' ' LEU . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.120000000000005 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.040000000000006 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.149999999999999 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 62.299999999999997 111.123 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.200000000000003 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 70.530000000000001 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.25 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.099999999999994 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 73.519999999999996 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.539999999999999 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.099999999999994 110.936 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 22' ' ' VAL . . . . . 0.766 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 70.540000000000006 111.122 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.519999999999996 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 64.219999999999999 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.229999999999997 110.921 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 22' ' ' VAL . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.409999999999997 110.903 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.530000000000001 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.049999999999997 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HB3' HD12 ' A' ' 31' ' ' ILE . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 61.43 110.905 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 6' ' ' ILE . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.329999999999998 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.510000000000005 110.867 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 54.240000000000002 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.340000000000003 110.898 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.230000000000004 110.878 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 65.019999999999996 111.13 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.120000000000005 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -64.78 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 62.539999999999999 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t 59.06 -87.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 54.039999999999999 110.877 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 69.52 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.329999999999998 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 61.299999999999997 110.947 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 7' ' ' LEU . 13.7 pttt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.748 0.308 . . . . 75.43 110.892 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.15 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 31' ' ' ILE . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.113 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.751 HD12 ' OH ' ' A' ' 21' ' ' TYR . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.908 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.114 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 8' ' ' ALA . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 43.21 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.863 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.55 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.31 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.949 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.751 ' OH ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.43 110.88 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 36' ' ' TYR . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 63.01 111.132 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB ' ' A' ' 31' ' ' ILE . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.947 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 52.01 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.823 ' HB ' HD23 ' A' ' 25' ' ' LEU . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 42.14 111.112 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.73 ' O ' HD12 ' A' ' 37' ' ' ILE . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.895 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 62.33 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.731 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.11 111.159 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 42.01 110.88 -179.924 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' A' ' 31' ' ' ILE . 52.7 mttp . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.75 0.31 . . . . 55.02 110.902 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 25' ' ' LEU . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.12 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.854 HD13 HD23 ' A' ' 35' ' ' LEU . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 62.15 110.952 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 64.22 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 63.32 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.96 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 74.21 111.153 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 64.13 112.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.14 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 45.32 110.921 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.1 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.55 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HD2' HG23 ' A' ' 22' ' ' VAL . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.873 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.775 ' HA ' HD22 ' A' ' 25' ' ' LEU . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.158 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 70.54 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.881 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 22' ' ' VAL . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.41 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.21 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.768 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 51.31 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.4 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.854 HD23 HD13 ' A' ' 7' ' ' LEU . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.693 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.93 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.44 111.17 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.695 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 70.54 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.15 110.812 -179.905 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.765 0.317 . . . . 52.12 110.887 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.1 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 25' ' ' LEU . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.085 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 60.14 111.081 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.02 110.947 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.24 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 50.44 111.096 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.13 112.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 64.43 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 50.44 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.938 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.917 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.804 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.13 110.903 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.44 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.54 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.714 ' HB ' HD23 ' A' ' 25' ' ' LEU . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.43 111.161 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.547 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.952 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.845 -179.898 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.763 0.316 . . . . 71.05 110.932 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.103 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HA ' HD21 ' A' ' 13' ' ' LEU . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.23 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 8' ' ' ALA . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 74.25 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.939 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 51.33 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.44 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.02 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 44.31 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.04 110.967 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 73.24 110.936 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HD22 ' A' ' 25' ' ' LEU . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.155 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.865 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.55 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 70.31 110.939 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 23' ' ' LYS . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.31 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.12 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.31 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 25' ' ' LEU . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.148 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 63.33 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.905 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.9 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.154 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 51.2 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 44.2 110.863 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 120.778 0.323 . . . . 75.42 110.893 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.625 HD12 ' OE1' ' A' ' 30' ' ' GLU . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 65.23 111.138 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.128 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 12' ' ' VAL . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.906 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.871 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 55.45 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.13 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 62.11 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 61.34 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.12 110.932 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.54 111.105 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 74.53 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.13 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.12 110.864 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 54.41 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.24 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.12 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.625 ' OE1' HD12 ' A' ' 6' ' ' ILE . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 63.31 110.919 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.727 ' HB ' HD23 ' A' ' 25' ' ' LEU . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 51.32 111.142 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.54 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 64.33 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.5 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.935 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.722 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.86 -179.93 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.737 0.303 . . . . 73.41 110.861 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.3 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 25' ' ' LEU . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.33 111.196 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 53.03 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 61.13 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 12' ' ' VAL . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.943 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 9' ' ' GLN . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.03 111.097 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.31 111.145 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.24 112.37 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.42 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.965 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.13 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.94 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 36' ' ' TYR . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.32 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 6' ' ' ILE . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.935 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 65.31 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.03 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.01 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.609 ' HB ' HD23 ' A' ' 25' ' ' LEU . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.137 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 55.11 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 72.43 110.925 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.446 HD23 ' NZ ' ' A' ' 10' ' ' LYS . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.9 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 51.24 110.907 -179.949 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.723 0.297 . . . . 71.13 110.91 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 25' ' ' LEU . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 63.51 111.132 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 54.14 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.873 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.917 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.31 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 70.54 111.102 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.907 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 72.13 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.24 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.895 -179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.963 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.53 111.128 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 60.51 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.904 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 65.43 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 51.11 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.13 110.849 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.45 111.162 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 45.41 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.876 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.402 ' HB2' HG11 ' A' ' 22' ' ' VAL . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.939 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.184 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.25 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.33 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.844 -179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.774 0.321 . . . . 70.42 110.877 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.34 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 31' ' ' ILE . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 45.43 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 39' ' ' LEU . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.083 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.472 ' O ' HG22 ' A' ' 12' ' ' VAL . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.891 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HA ' HD21 ' A' ' 13' ' ' LEU . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.21 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.33 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 43.44 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.543 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.93 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.11 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 62.13 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.913 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.821 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 71.03 111.125 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 72.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.925 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.34 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.715 ' HB ' HD23 ' A' ' 25' ' ' LEU . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.53 111.15 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.886 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 32.34 110.918 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.651 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.882 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.34 111.116 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.841 -179.925 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.76 0.314 . . . . 75.22 110.901 . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 25' ' ' LEU . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.13 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.884 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.509 ' O ' HD22 ' A' ' 13' ' ' LEU . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 62.22 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 53.31 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.916 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.14 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.15 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 65.4 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.933 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 36' ' ' TYR . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.13 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 6' ' ' ILE . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 43.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 55.52 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.44 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 25' ' ' LEU . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.24 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.854 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 62.45 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 64.15 110.98 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.621 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.129 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.403 HD23 ' HD3' ' A' ' 10' ' ' LYS . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 65.34 110.929 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.31 110.855 -179.918 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.64 ' HA ' HD11 ' A' ' 31' ' ' ILE . 22.9 pttt . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.708 0.289 . . . . 71.22 110.932 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 25' ' ' LEU . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.113 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 35' ' ' LEU . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' LEU . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.51 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.425 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 55.22 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.973 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.404 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.31 111.149 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 42.23 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.15 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.93 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.829 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.15 110.916 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 22' ' ' VAL . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.863 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.23 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.32 110.916 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.811 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 61.01 111.138 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.31 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 37' ' ' ILE . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 70.33 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.883 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.696 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.965 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 54.42 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.916 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.895 -179.957 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 pttt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.742 0.306 . . . . 74.33 110.899 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.729 HD12 HD11 ' A' ' 25' ' ' LEU . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.091 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.651 HD22 ' OH ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.935 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 70.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 64.23 110.894 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 64.25 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.913 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 52.25 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.13 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 53.5 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.896 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 65.14 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.651 ' OH ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.94 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 70.2 111.119 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.806 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.914 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 22' ' ' VAL . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.14 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 71.33 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.11 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.803 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.169 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 71.12 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.693 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.43 110.918 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.891 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.728 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 52.33 110.943 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.22 111.164 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.01 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.41 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.871 -179.916 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.763 0.316 . . . . 54.53 110.927 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.437 HD11 HD11 ' A' ' 25' ' ' LEU . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 54.42 111.165 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.116 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 64.42 111.15 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.21 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 71.32 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.11 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.02 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 64.13 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 41.13 110.905 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.817 ' HA ' HD22 ' A' ' 25' ' ' LEU . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.098 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 62.3 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.12 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 45.23 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.03 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.756 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 52.45 111.122 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.45 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 61.15 110.888 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.704 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.913 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 61.05 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.35 110.889 -179.935 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HB2' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.74 0.305 . . . . 72.04 110.922 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 35.3 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.904 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 61.02 111.07 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 7' ' ' LEU . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.873 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 53.4 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.42 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.03 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.892 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 64.15 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.916 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.802 ' HA ' HD22 ' A' ' 25' ' ' LEU . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.35 111.102 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.23 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.914 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 35.22 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 70.45 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.787 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.35 111.158 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.33 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.645 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.2 110.89 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.605 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.097 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 53.44 110.874 -179.936 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.786 0.327 . . . . 63.12 110.92 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 31' ' ' ILE . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.35 111.142 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.928 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.923 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.455 ' CD ' HD13 ' A' ' 7' ' ' LEU . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.54 110.891 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.15 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 9' ' ' GLN . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.899 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.33 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 52.42 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.03 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.51 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 60.01 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.569 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.21 110.948 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.721 ' HA ' HD22 ' A' ' 25' ' ' LEU . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.05 111.128 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.913 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.44 110.853 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.128 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 70.41 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.925 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.89 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.741 0.305 . . . . 73.51 110.884 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 25' ' ' LEU . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.152 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.635 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.33 111.102 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.5 ' O ' HG22 ' A' ' 12' ' ' VAL . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 62.34 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 65.13 110.883 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 63.35 111.168 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 10' ' ' LYS . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.941 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 63.42 111.187 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.21 112.361 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 65.3 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 72.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.33 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 62.22 111.116 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.9 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 52.05 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 72.22 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.135 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 60.13 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.9 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.43 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.51 110.895 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.919 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.827 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' A' ' 35' ' ' LEU . 1.2 pttp . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.767 0.318 . . . . 75.53 110.908 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD11 ' A' ' 25' ' ' LEU . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.33 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.409 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.952 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 53.31 111.106 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.24 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 54.3 110.919 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' ALA . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.906 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.05 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 44.02 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.855 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.34 111.113 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.03 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.35 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.929 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.42 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.35 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.44 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.13 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.801 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 51.52 111.172 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 31' ' ' ILE . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.41 110.923 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.409 ' HB2' HG11 ' A' ' 22' ' ' VAL . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.927 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.32 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.55 110.867 -179.927 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.737 0.303 . . . . 75.0 110.893 . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 61.21 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.821 HD11 HD11 ' A' ' 25' ' ' LEU . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 62.43 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 10' ' ' LYS . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.14 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 13' ' ' LEU . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.9 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HG2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.895 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 9' ' ' GLN . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 72.2 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 54.11 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 60.0 110.915 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.779 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.24 111.19 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 53.24 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HD11 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 60.13 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 70.32 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.42 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 63.51 110.856 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 25' ' ' LEU . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 65.53 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 54.23 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.896 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 62.41 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 45.33 110.942 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.614 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.925 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 70.33 111.145 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 54.44 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.688 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.875 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.714 0.292 . . . . 63.01 110.897 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.32 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.921 HG21 HD11 ' A' ' 31' ' ' ILE . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.15 110.904 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.136 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.463 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 64.31 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 43.02 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ALA . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.22 111.109 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.881 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.605 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 73.13 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 71.42 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.34 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.973 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.79 ' HA ' HD22 ' A' ' 25' ' ' LEU . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.31 111.143 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 61.31 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.402 HD11 ' HG2' ' A' ' 30' ' ' GLU . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 70.13 111.126 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.14 110.925 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 6' ' ' ILE . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.51 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.14 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.928 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.43 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.953 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.927 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.177 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 62.3 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 13.7 pttm . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.734 0.302 . . . . 65.1 110.862 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 3' ' ' LYS . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.01 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.917 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 62.43 111.115 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.905 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 60.52 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' ALA . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 62.51 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 63.4 111.191 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.23 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 16' ' ' ILE . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 70.24 111.178 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 50.54 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CD2' HG23 ' A' ' 22' ' ' VAL . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.946 HG13 HD11 ' A' ' 31' ' ' ILE . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 52.12 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.915 HD23 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' A' ' 22' ' ' VAL . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.12 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.35 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.11 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.946 HD11 HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.55 111.124 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 52.22 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.948 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 7' ' ' LEU . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.96 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.895 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.117 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 65.53 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.34 110.914 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 55.44 110.904 -179.912 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 7' ' ' LEU . 12.5 ttmt . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.686 0.279 . . . . 64.35 110.86 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' ILE . . . . . 0.672 HG21 HD11 ' A' ' 31' ' ' ILE . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.32 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.071 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 13' ' ' LEU . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.552 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 62.3 111.123 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.2 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 70.53 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.25 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.1 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.936 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' VAL . . . . . 0.766 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 70.54 111.122 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 64.22 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.921 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 22' ' ' VAL . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.903 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.05 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HB3' HD12 ' A' ' 31' ' ' ILE . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 61.43 110.905 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 6' ' ' ILE . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.867 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 54.24 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.898 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.878 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 65.02 111.13 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.12 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 62.54 110.849 -179.914 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.771 0.319 . . . . 72.22 110.895 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 81.9 m-20 -115.62 54.46 0.81 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.226 -0.443 . . . . 73.51 110.896 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.596 ' O ' HD13 ' A' ' 7' ' ' LEU . 13.7 pttt -99.9 -34.67 10.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 75.43 110.892 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -77.76 -36.01 51.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.249 -0.432 . . . . 72.55 110.897 179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t-160 -61.68 -46.09 91.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 70.15 110.893 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.53 HD11 HD13 ' A' ' 31' ' ' ILE . 17.8 pt -71.39 -33.51 50.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.186 -0.461 . . . . 72.41 111.113 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.751 HD12 ' OH ' ' A' ' 21' ' ' TYR . 1.2 mp -52.58 -53.54 45.13 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 73.4 110.908 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.546 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -51.47 -34.95 37.8 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.456 . . . . 72.21 111.114 179.812 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 55.0 mm-40 -57.05 -56.65 19.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.894 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 1.6 ptpt -52.74 -30.26 31.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.22 110.86 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -72.97 -32.76 65.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.44 110.848 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.546 HG23 ' O ' ' A' ' 8' ' ' ALA . 38.6 t -78.3 -54.92 11.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 43.21 111.151 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.405 HD11 ' HA ' ' A' ' 18' ' ' TYR . 0.8 OUTLIER -63.62 152.42 38.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.144 -0.48 . . . . 71.34 110.863 179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.18 163.54 0.53 Allowed Pre-proline 0 C--N 1.33 -0.263 0 CA-C-O 121.601 0.715 . . . . 60.55 111.123 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 -26.54 27.69 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.735 2.29 . . . . 72.31 112.323 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.1 mm -69.75 -42.16 80.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.32 111.162 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.2 mt-10 -73.76 -36.21 65.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.23 110.888 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.405 ' HA ' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -53.12 -35.9 60.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.16 -0.473 . . . . 64.44 110.949 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -50.26 -33.85 21.19 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.12 -0.491 . . . . 73.1 110.86 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.9 m-70 -88.14 -28.46 21.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.214 -0.448 . . . . 72.34 110.888 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.751 ' OH ' HD12 ' A' ' 7' ' ' LEU . 0.1 OUTLIER -52.89 -30.41 33.99 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.237 -0.438 . . . . 65.43 110.88 -179.848 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.731 HG11 ' HB2' ' A' ' 36' ' ' TYR . 88.9 t -88.99 -21.44 6.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.125 -0.488 . . . . 63.01 111.132 179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 45.3 mmtt -64.08 -52.9 57.09 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 72.25 110.889 179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.6 t60 -59.95 -34.41 73.22 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.21 -0.45 . . . . 53.14 110.88 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.823 HD23 ' HB ' ' A' ' 31' ' ' ILE . 1.5 mp -55.87 -49.72 72.58 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.237 -0.438 . . . . 74.53 110.947 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 31.8 m-85 -45.77 -33.79 3.28 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.173 -0.467 . . . . 71.14 110.892 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 27.9 t0 -48.06 -42.08 27.62 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.177 -0.465 . . . . 63.41 110.893 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -106.86 -28.22 2.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.173 -0.467 . . . . 62.43 111.125 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.06 25.53 11.19 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.757 -0.735 . . . . 61.22 112.519 179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.73 -64.47 0.84 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 120.826 0.346 . . . . 52.01 110.924 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.823 ' HB ' HD23 ' A' ' 25' ' ' LEU . 1.7 mp -110.87 139.09 36.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 42.14 111.112 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 31.3 p -80.76 154.85 26.99 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.31 111.144 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.73 ' O ' HD12 ' A' ' 37' ' ' ILE . 17.1 mtmt -51.8 -32.48 31.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 73.53 110.895 179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -48.1 -35.15 10.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.242 -0.435 . . . . 62.33 110.895 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.426 ' HB2' HG23 ' A' ' 31' ' ' ILE . 1.1 tp -74.84 -44.75 47.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 63.33 110.892 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.731 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.5 t80 -62.27 -35.4 78.85 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 74.13 110.901 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.73 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -76.79 -41.98 33.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.137 -0.483 . . . . 72.11 111.159 179.897 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 85.3 mt-10 -67.59 -58.26 5.0 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.152 -0.476 . . . . 74.42 110.864 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.73 -35.33 61.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.162 -0.472 . . . . 74.22 110.877 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.9 m -59.33 99.65 0.06 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 42.01 110.88 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 66.7 p -121.21 36.29 4.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 73.1 110.853 -179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -108.48 149.7 28.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.128 -0.487 . . . . 62.34 110.838 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.177 -0.465 . . . . 52.41 110.934 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 7.1 mtt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.775 0.321 . . . . 73.21 110.859 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 8.8 m-20 -117.67 160.89 20.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 74.54 110.856 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.567 ' HA ' HD11 ' A' ' 31' ' ' ILE . 52.7 mttp -69.15 -33.04 72.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.187 -0.46 . . . . 55.02 110.902 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -81.81 -36.09 28.74 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.196 -0.456 . . . . 72.42 110.86 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -75.38 -46.13 34.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 72.02 110.836 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.518 HD11 HD11 ' A' ' 25' ' ' LEU . 8.4 tt -55.09 -33.86 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.197 -0.456 . . . . 75.33 111.12 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.854 HD13 HD23 ' A' ' 35' ' ' LEU . 18.3 tp -72.71 -32.61 65.87 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.142 -0.481 . . . . 62.15 110.952 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -49.05 -33.84 12.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 64.22 111.092 179.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 62.8 mm-40 -70.79 -43.56 68.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.33 110.927 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.502 ' HA ' HD21 ' A' ' 13' ' ' LEU . 3.5 tmtt? -51.72 -31.8 27.79 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.206 -0.452 . . . . 75.0 110.889 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.87 -33.88 62.15 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.245 -0.434 . . . . 72.43 110.885 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 48.0 t -73.42 -59.56 3.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.078 -0.51 . . . . 63.32 111.138 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.502 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.7 OUTLIER -52.88 172.09 0.05 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.52 110.96 179.948 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.476 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -72.65 163.85 64.72 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.581 0.705 . . . . 74.21 111.153 179.933 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.8 Cg_endo -69.78 -27.43 26.37 Favored 'Trans proline' 0 C--O 1.232 0.183 0 C-N-CA 122.681 2.254 . . . . 64.13 112.358 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 2.1 mt -75.47 -32.69 25.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.208 -0.451 . . . . 71.14 111.168 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.49 -35.81 34.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 74.11 110.925 179.916 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.414 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.79 -34.66 67.86 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.105 -0.498 . . . . 45.32 110.921 -179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -51.67 -38.4 54.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 71.1 110.895 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 85.5 m-70 -88.94 -27.39 20.98 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 55.55 110.852 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.593 ' HD2' HG23 ' A' ' 22' ' ' VAL . 1.9 t80 -48.41 -45.62 36.37 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.245 -0.434 . . . . 75.11 110.873 -179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.775 ' HA ' HD22 ' A' ' 25' ' ' LEU . 53.1 t -81.78 -22.25 10.09 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.478 . . . . 73.03 111.158 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.4 mmtm -65.06 -36.6 84.85 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 70.54 110.907 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -77.22 -33.43 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 62.31 110.903 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.775 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.48 -46.13 73.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.206 -0.452 . . . . 71.32 110.881 179.996 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.448 ' CE1' HG12 ' A' ' 22' ' ' VAL . 48.0 m-85 -47.71 -31.06 4.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 71.45 110.89 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 28.3 t70 -47.74 -50.75 24.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 74.33 110.879 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.2 pt -102.01 -28.51 3.15 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.23 -0.441 . . . . 60.34 111.139 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.19 25.79 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.745 -0.741 . . . . 74.41 112.453 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -57.13 -65.0 0.69 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.813 0.34 . . . . 72.21 110.878 -179.889 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.768 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.5 mm -110.9 144.07 19.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 75.11 111.146 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 44.9 p -90.52 159.56 16.43 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 51.31 111.178 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.6 mtmt -51.96 -30.43 24.68 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.22 -0.446 . . . . 73.03 110.873 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -47.15 -49.84 21.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.274 -0.421 . . . . 65.4 110.9 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.854 HD23 HD13 ' A' ' 7' ' ' LEU . 1.1 tp -64.56 -47.22 79.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.911 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.693 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -54.91 -43.9 73.7 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.211 -0.449 . . . . 72.44 110.93 179.983 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -73.23 -50.7 29.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.101 -0.5 . . . . 75.44 111.17 179.892 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -54.26 -58.37 7.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 72.03 110.866 179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.695 ' HG ' HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.67 -35.96 64.1 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.162 -0.472 . . . . 70.54 110.914 -179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -54.34 101.95 0.05 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 62.15 110.812 -179.905 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -105.97 36.19 2.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 72.54 110.886 -179.856 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -100.91 -170.06 1.79 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.082 -0.508 . . . . 74.53 110.867 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.149 -0.478 . . . . 64.43 110.929 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 9.5 ptm . . . . . 0 C--O 1.23 0.051 0 CA-C-O 120.835 0.35 . . . . 72.05 110.857 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.2 t-20 60.77 -172.13 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.2 -0.455 . . . . 75.35 110.873 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 9.1 pttt -108.65 -35.96 6.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 52.12 110.887 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -82.16 -37.83 25.58 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 63.32 110.915 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.4 t-160 -75.37 -43.76 48.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.1 -0.5 . . . . 71.1 110.857 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.617 HD11 HD11 ' A' ' 25' ' ' LEU . 9.7 tt -56.72 -31.59 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.2 111.085 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.1 tp -52.08 -34.61 44.6 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.219 -0.446 . . . . 72.32 110.959 179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.463 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.09 -32.86 74.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 60.14 111.081 179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.469 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -61.31 -54.42 44.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.13 110.905 -179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.26 -11.46 60.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 74.02 110.947 179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -91.12 -25.13 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 60.24 110.867 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.469 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.01 18.97 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 75.15 111.122 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.1 pp -138.64 158.0 45.08 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 73.25 110.929 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.421 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.04 161.75 0.67 Allowed Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.719 . . . . 50.44 111.096 179.982 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.421 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.5 Cg_endo -69.85 -28.01 25.34 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.684 2.256 . . . . 71.13 112.31 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.4 mt -74.84 -35.41 36.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 64.43 111.12 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -75.6 -36.9 60.18 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 50.44 110.887 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.425 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -55.7 -42.98 76.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.111 -0.495 . . . . 74.2 110.938 -179.842 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 18.4 mt-10 -53.97 -35.15 61.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 73.3 110.905 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.2 m-70 -86.83 -24.9 24.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 71.41 110.861 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.472 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.25 -27.27 54.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.202 -0.454 . . . . 75.23 110.917 -179.874 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.6 t -81.98 -19.83 10.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.117 -0.492 . . . . 75.05 111.136 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.4 mmtt -57.84 -37.92 74.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 74.41 110.923 179.893 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -76.0 -34.04 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 71.23 110.88 179.861 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.804 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -54.07 -45.97 71.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.13 110.903 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 44.4 m-85 -48.75 -30.62 5.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 74.35 110.9 179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.2 t70 -48.12 -50.98 26.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.172 -0.467 . . . . 74.1 110.861 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.0 pt -101.71 -28.47 3.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 73.51 111.119 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 102.53 25.98 7.47 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 73.44 112.488 179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.11 -67.28 0.31 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.845 0.355 . . . . 71.54 110.875 -179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.714 ' HB ' HD23 ' A' ' 25' ' ' LEU . 36.1 mm -110.98 143.05 21.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.121 -0.491 . . . . 75.43 111.161 179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 52.2 p -91.04 159.15 16.28 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 74.43 111.139 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 18.2 mtmt -52.06 -29.73 22.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.212 -0.449 . . . . 72.43 110.879 179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -48.46 -35.56 13.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 75.35 110.863 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.547 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -81.58 -48.58 11.59 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.214 -0.448 . . . . 73.11 110.952 179.996 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 5.7 t80 -52.07 -35.65 48.16 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 65.33 110.9 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -83.91 -52.35 12.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 65.22 111.13 179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 18.4 mm-40 -52.58 -58.78 5.69 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.226 -0.443 . . . . 71.24 110.873 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.1 mp -58.27 -35.98 72.57 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 62.44 110.902 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.4 t -60.21 -70.86 0.15 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.209 -0.45 . . . . 73.1 110.845 -179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 8.4 t 62.28 42.9 8.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.124 -0.489 . . . . 51.52 110.871 -179.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -126.51 -69.8 0.75 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.156 -0.475 . . . . 70.22 110.891 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.176 -0.466 . . . . 71.34 110.888 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 37.3 mmm . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.764 0.316 . . . . 74.12 110.823 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -95.58 50.02 1.21 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.251 -0.432 . . . . 71.12 110.941 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 10.6 pttm -70.41 -33.37 71.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.143 -0.481 . . . . 71.05 110.932 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 -75.74 -36.9 59.76 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.23 -0.441 . . . . 72.22 110.866 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -78.34 -49.8 12.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.192 -0.458 . . . . 71.24 110.868 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 7.8 tt -53.56 -32.97 21.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.209 -0.45 . . . . 73.13 111.124 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -50.68 -34.88 28.33 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.169 -0.469 . . . . 72.32 110.921 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.572 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -59.02 -37.33 76.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 74.22 111.103 179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 84.0 mm-40 -59.04 -41.64 88.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.2 -0.455 . . . . 73.22 110.925 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.438 ' HA ' HD21 ' A' ' 13' ' ' LEU . 2.0 pttt -85.68 -16.65 38.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.214 -0.448 . . . . 71.23 110.919 179.944 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -90.5 5.06 49.27 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.219 -0.446 . . . . 70.23 110.915 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.572 HG13 ' O ' ' A' ' 8' ' ' ALA . 25.1 m -127.11 22.83 2.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 74.25 111.145 179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD11 ' HB2' ' A' ' 18' ' ' TYR . 1.2 pp -138.35 163.62 31.38 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.15 -0.477 . . . . 71.42 110.939 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -51.57 161.05 0.89 Allowed Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.538 0.685 . . . . 51.33 111.175 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -28.36 25.21 Favored 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.68 2.254 . . . . 74.44 112.326 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.2 mt -75.4 -32.64 25.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 64.02 111.087 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 8.1 mt-10 -77.12 -40.39 45.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 44.31 110.884 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.456 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.85 -35.15 68.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.487 . . . . 73.04 110.967 -179.874 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -61.09 -40.15 92.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.134 -0.485 . . . . 73.54 110.833 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 7.2 m-70 -86.73 -20.16 28.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.152 -0.476 . . . . 74.32 110.839 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.408 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.1 OUTLIER -53.92 -33.5 56.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.233 -0.439 . . . . 73.24 110.936 -179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.8 ' HA ' HD22 ' A' ' 25' ' ' LEU . 93.3 t -82.48 -19.5 10.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.112 -0.494 . . . . 74.42 111.155 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . 0.403 ' HA ' ' CD1' ' A' ' 26' ' ' PHE . 0.9 OUTLIER -56.01 -40.53 73.52 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 75.45 110.865 179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -73.74 -36.97 65.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.256 -0.429 . . . . 73.55 110.872 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.8 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.5 OUTLIER -51.25 -43.59 61.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 70.31 110.939 -179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.403 ' CD1' ' HA ' ' A' ' 23' ' ' LYS . 45.3 m-85 -48.22 -30.79 5.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 64.33 110.892 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 29.2 t0 -49.11 -51.05 34.24 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.13 -0.486 . . . . 74.23 110.819 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.5 -28.6 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.217 -0.447 . . . . 53.31 111.126 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.87 24.8 8.38 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.732 -0.747 . . . . 73.12 112.514 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -55.77 -67.61 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.807 0.337 . . . . 74.31 110.914 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.519 ' HB ' HD23 ' A' ' 25' ' ' LEU . 23.5 mm -111.25 142.86 22.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 75.13 111.148 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 35.4 p -92.12 162.02 14.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.172 -0.467 . . . . 63.33 111.141 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.633 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -51.81 -30.21 22.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.192 -0.458 . . . . 72.2 110.905 179.872 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -47.43 -47.88 26.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 74.32 110.852 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.44 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -72.17 -46.5 56.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.112 -0.495 . . . . 72.34 110.9 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 4.0 t80 -51.91 -39.62 59.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.229 -0.441 . . . . 74.1 110.979 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.633 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.4 mp -84.91 -43.73 17.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.107 -0.497 . . . . 73.4 111.154 179.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 13.9 tt0 -51.62 -57.12 10.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.177 -0.465 . . . . 73.34 110.913 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.41 -34.88 59.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 51.2 110.936 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -77.39 86.21 3.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 44.2 110.863 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.3 t -113.41 38.95 2.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 71.24 110.845 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -78.43 -64.26 1.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.108 -0.497 . . . . 71.1 110.848 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 C--N 1.328 -0.353 0 CA-C-N 116.209 -0.45 . . . . 74.14 110.907 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 10.5 mmt . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.805 0.335 . . . . 64.34 110.872 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 63.16 -170.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.248 -0.433 . . . . 74.21 110.887 -179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.1 pttt -108.22 -35.73 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.158 -0.474 . . . . 75.42 110.893 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 60.2 mt-10 -82.23 -37.61 25.74 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.218 -0.446 . . . . 74.34 110.903 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -75.42 -44.1 46.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 63.3 110.791 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.625 HD12 ' OE1' ' A' ' 30' ' ' GLU . 9.2 tt -56.4 -32.11 35.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.241 -0.436 . . . . 65.23 111.138 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.3 tp -51.74 -33.78 36.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 64.12 110.897 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.522 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -61.85 -34.01 75.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.212 -0.449 . . . . 73.51 111.128 179.772 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.486 ' O ' HG22 ' A' ' 12' ' ' VAL . 50.8 mm-40 -61.02 -56.65 18.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.24 -0.436 . . . . 71.13 110.906 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.452 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -67.87 -12.49 60.77 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.223 -0.444 . . . . 62.13 110.871 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 -89.79 -26.72 20.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 71.01 110.886 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.522 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.9 m -90.89 16.74 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.175 -0.466 . . . . 74.12 111.12 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.491 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.8 pp -138.53 152.85 48.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.182 -0.463 . . . . 64.43 110.924 179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.32 161.96 0.56 Allowed Pre-proline 0 C--N 1.33 -0.258 0 CA-C-O 121.585 0.707 . . . . 55.45 111.173 179.91 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -29.04 24.54 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.686 2.257 . . . . 75.13 112.306 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 4.6 mm -71.93 -35.97 56.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.235 -0.439 . . . . 62.11 111.16 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.3 mt-10 -76.39 -37.42 57.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.12 110.855 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.491 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.13 -37.88 67.49 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.177 -0.465 . . . . 75.44 110.909 -179.858 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -51.24 -34.85 34.18 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.102 -0.499 . . . . 74.32 110.926 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 60.5 m-70 -86.86 -28.27 22.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.15 -0.477 . . . . 61.34 110.842 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.447 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.61 -31.48 57.18 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 65.12 110.932 -179.83 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.825 ' HA ' HD22 ' A' ' 25' ' ' LEU . 68.2 t -82.89 -21.41 9.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 64.54 111.105 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 12.5 mmtt -64.49 -35.92 82.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.209 -0.451 . . . . 74.53 110.878 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -32.86 59.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 70.13 110.905 179.846 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.825 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -54.91 -48.76 72.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 71.12 110.864 -179.932 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -45.83 -32.26 2.5 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.219 -0.446 . . . . 75.31 110.86 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.3 -50.55 29.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 54.41 110.867 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.3 pt -100.22 -28.5 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.209 -0.45 . . . . 71.24 111.097 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.52 26.23 7.78 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.745 -0.741 . . . . 54.12 112.486 179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.625 ' OE1' HD12 ' A' ' 6' ' ' ILE . 2.5 tt0 -57.72 -67.8 0.3 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.798 0.333 . . . . 63.31 110.919 -179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.727 ' HB ' HD23 ' A' ' 25' ' ' LEU . 55.4 mt -111.18 144.26 19.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.153 -0.476 . . . . 51.32 111.142 179.951 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.9 p -91.34 163.65 14.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 74.54 111.111 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.688 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -55.65 -29.41 59.22 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 73.25 110.904 179.878 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -48.97 -35.23 14.69 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.465 . . . . 64.33 110.884 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.5 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.68 -49.26 10.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 70.31 110.935 -179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.722 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.31 -38.45 53.05 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 71.23 110.913 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.688 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -77.9 -54.43 12.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 74.31 111.134 179.898 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.64 -58.52 6.13 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 71.54 110.885 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.8 mp -56.25 -36.0 68.05 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 74.04 110.924 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 4.0 m -70.87 83.11 0.65 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 71.42 110.86 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 3.3 p -71.94 -36.33 69.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 62.3 110.845 -179.815 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -52.12 119.02 3.91 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 72.23 110.859 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 52.31 110.914 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.821 0.343 . . . . 74.12 110.872 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.4 t-20 -118.44 162.89 17.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.224 -0.444 . . . . 74.11 110.926 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 16.4 pttt -71.4 -35.34 70.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.861 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 33.4 mt-10 -68.56 -37.68 80.13 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.261 -0.427 . . . . 65.3 110.918 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -60.28 -55.03 38.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 71.11 110.866 179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 HD12 HD11 ' A' ' 25' ' ' LEU . 18.0 pt -69.38 -34.61 63.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.444 . . . . 72.33 111.196 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 24.2 tp -51.37 -52.33 46.69 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.134 -0.485 . . . . 53.03 110.9 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -50.91 -30.74 15.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 61.13 111.124 179.816 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.458 ' O ' HG22 ' A' ' 12' ' ' VAL . 72.1 mm-40 -63.74 -52.54 59.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 73.31 110.918 -179.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.456 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -62.61 -14.83 47.43 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 73.21 110.943 179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -95.83 6.5 48.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.215 -0.448 . . . . 61.41 110.92 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.458 HG22 ' O ' ' A' ' 9' ' ' GLN . 34.1 m -136.11 24.12 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.096 -0.502 . . . . 72.03 111.097 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.456 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.6 pp -138.93 156.71 47.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.167 -0.47 . . . . 71.21 110.914 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.417 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -50.03 162.18 0.51 Allowed Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 73.31 111.145 179.92 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.417 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.7 -26.98 27.29 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.669 2.246 . . . . 74.24 112.37 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.2 mm -72.39 -35.57 52.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.243 -0.435 . . . . 71.42 111.121 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 90.1 mt-10 -76.34 -40.96 49.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.154 -0.475 . . . . 75.54 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.415 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -54.39 -33.45 59.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.174 -0.466 . . . . 75.14 110.965 -179.897 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -56.67 -35.51 68.51 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.096 -0.502 . . . . 72.13 110.87 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -88.26 -25.04 23.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 73.11 110.876 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.57 -31.34 24.17 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 72.04 110.94 -179.844 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.576 HG11 ' HB2' ' A' ' 36' ' ' TYR . 85.4 t -91.37 -21.89 6.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.11 -0.495 . . . . 75.32 111.103 179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -61.47 -53.69 53.16 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 71.21 110.909 179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -61.19 -36.75 80.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 74.25 110.901 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.614 HD11 HD12 ' A' ' 6' ' ' ILE . 1.7 mp -51.84 -46.66 64.45 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 75.13 110.935 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.7 m-85 -46.12 -33.54 3.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 73.01 110.855 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -48.84 -40.8 30.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 71.25 110.905 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -107.07 -28.34 2.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.175 -0.466 . . . . 65.31 111.135 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.21 26.62 10.97 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.71 -0.757 . . . . 42.03 112.511 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -57.3 -65.86 0.56 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.819 0.342 . . . . 64.01 110.867 -179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.609 ' HB ' HD23 ' A' ' 25' ' ' LEU . 64.9 mt -110.9 144.82 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.47 . . . . 72.11 111.137 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -81.37 146.06 30.52 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 72.11 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -49.85 -32.23 13.8 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 74.03 110.937 179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -48.04 -38.2 16.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.449 . . . . 70.32 110.883 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.552 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 tp -71.7 -39.71 70.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 55.11 110.921 -179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.576 ' HB2' HG11 ' A' ' 22' ' ' VAL . 1.4 t80 -61.39 -30.2 70.4 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.178 -0.465 . . . . 72.43 110.925 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 40.6 mm -80.22 -56.3 6.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.124 -0.489 . . . . 75.44 111.13 179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -52.03 -58.75 5.6 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 73.12 110.873 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.446 HD23 ' NZ ' ' A' ' 10' ' ' LYS . 9.5 mp -55.38 -35.8 65.7 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.13 -0.486 . . . . 73.04 110.9 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 t -65.13 92.11 0.11 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 51.24 110.907 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.6 t -120.54 38.01 4.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.11 -0.496 . . . . 65.33 110.899 -179.827 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -119.18 -63.33 1.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.104 -0.498 . . . . 74.14 110.887 179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.175 -0.466 . . . . 44.24 110.912 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 6.7 tpt . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.771 0.319 . . . . 74.52 110.84 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -151.89 -42.63 0.11 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.23 -0.441 . . . . 70.4 110.898 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 8.7 ttmt 73.31 -65.16 0.37 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 71.13 110.91 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 21.7 mt-10 -82.32 -39.22 23.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 73.12 110.912 179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -81.58 -36.61 28.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 72.43 110.915 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.614 HD11 HD11 ' A' ' 25' ' ' LEU . 10.3 tt -56.08 -31.44 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.152 -0.476 . . . . 63.51 111.132 179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 19.5 tp -52.13 -33.79 41.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.468 . . . . 54.14 110.917 179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.491 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -64.66 -33.85 76.92 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.175 -0.466 . . . . 64.12 111.132 179.78 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.464 ' O ' HG22 ' A' ' 12' ' ' VAL . 86.0 mm-40 -61.12 -54.45 44.36 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 72.33 110.873 -179.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.525 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.1 OUTLIER -69.58 -11.38 60.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 74.34 110.917 179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -91.4 -25.03 19.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.467 . . . . 70.31 110.866 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.491 HG13 ' O ' ' A' ' 8' ' ' ALA . 29.8 m -92.09 19.34 0.85 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 70.54 111.102 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.525 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.64 157.88 45.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.187 -0.461 . . . . 71.04 110.907 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -50.7 161.77 0.62 Allowed Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.593 0.711 . . . . 72.13 111.122 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 -28.0 25.62 Favored 'Trans proline' 0 C--O 1.232 0.203 0 C-N-CA 122.677 2.252 . . . . 74.24 112.31 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -75.12 -35.24 33.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 74.53 111.16 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 17.9 mt-10 -75.48 -37.13 60.42 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.195 -0.457 . . . . 70.52 110.912 179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.43 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.68 -43.01 75.96 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.153 -0.476 . . . . 73.23 110.895 -179.824 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -54.11 -35.33 62.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.21 110.93 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.5 m-70 -86.8 -24.63 24.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.124 -0.489 . . . . 63.31 110.883 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.417 ' HB3' ' HA ' ' A' ' 18' ' ' TYR . 0.0 OUTLIER -56.31 -27.01 54.22 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 73.32 110.963 -179.891 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 94.9 t -82.2 -19.27 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.118 -0.492 . . . . 73.53 111.128 179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -58.16 -37.07 73.99 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.169 -0.469 . . . . 73.43 110.887 179.888 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -75.96 -34.51 59.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.279 -0.418 . . . . 60.51 110.887 179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.2 OUTLIER -53.75 -46.88 71.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.183 -0.462 . . . . 70.32 110.904 -179.982 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -47.53 -31.57 4.47 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 65.43 110.898 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -48.78 -51.06 31.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.168 -0.469 . . . . 72.03 110.86 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.5 pt -99.65 -28.48 3.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 74.31 111.129 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.74 25.66 8.46 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.76 -0.733 . . . . 51.11 112.506 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.597 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -57.16 -67.23 0.34 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.822 0.344 . . . . 75.13 110.849 -179.848 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.1 mp -111.24 139.9 33.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.145 -0.479 . . . . 72.45 111.162 179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.1 p -88.31 163.72 15.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.183 -0.462 . . . . 45.41 111.136 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.611 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -54.67 -29.72 53.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.234 -0.439 . . . . 72.2 110.876 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -48.92 -35.42 14.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.226 -0.443 . . . . 73.22 110.871 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -80.95 -49.09 11.42 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.15 -0.477 . . . . 63.12 110.902 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.402 ' HB2' HG11 ' A' ' 22' ' ' VAL . 6.1 t80 -52.04 -38.21 56.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.2 -0.454 . . . . 74.23 110.939 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.611 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.44 -53.14 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 75.22 111.184 179.877 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -51.29 -58.8 5.22 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.133 -0.485 . . . . 61.25 110.897 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -58.49 -35.68 72.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.094 -0.503 . . . . 75.33 110.947 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -60.09 -47.19 86.91 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.137 -0.483 . . . . 71.42 110.844 -179.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 43.8 m -73.12 79.66 1.25 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.165 -0.471 . . . . 45.52 110.842 -179.82 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -127.77 147.25 50.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.142 -0.481 . . . . 73.14 110.859 179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 3.1 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.183 -0.462 . . . . 44.23 110.909 -179.962 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.5 mtt . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.785 0.326 . . . . 61.43 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 57.0 m-80 52.52 82.26 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 75.34 110.893 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.534 ' HA ' HD11 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -123.26 -36.75 2.78 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.168 -0.469 . . . . 70.42 110.877 179.936 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 46.7 mt-10 -82.2 -41.35 20.43 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 73.23 110.898 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 22.9 t-160 -74.83 -41.86 59.11 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.463 . . . . 73.34 110.833 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.42 HG21 HD11 ' A' ' 31' ' ' ILE . 7.4 tt -57.2 -31.7 38.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 45.43 111.14 179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 39' ' ' LEU . 1.2 tp -50.03 -37.83 34.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.183 -0.462 . . . . 73.52 110.905 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.468 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -51.45 -33.21 29.96 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 70.15 111.083 179.851 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.472 ' O ' HG22 ' A' ' 12' ' ' VAL . 37.0 mm-40 -62.3 -53.85 49.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 72.21 110.891 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.501 ' HA ' HD21 ' A' ' 13' ' ' LEU . 4.3 ptpp? -69.19 -11.26 60.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.22 -0.446 . . . . 72.44 110.9 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -91.62 -24.45 19.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.21 110.898 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.472 HG22 ' O ' ' A' ' 9' ' ' GLN . 26.8 m -92.67 18.71 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.21 111.09 179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.543 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.0 pp -138.55 170.47 15.95 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.208 -0.451 . . . . 74.33 110.933 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -66.12 163.3 39.26 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.547 0.689 . . . . 75.33 111.164 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.78 -31.65 20.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.662 2.242 . . . . 43.44 112.33 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -73.02 -33.73 43.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.245 -0.434 . . . . 75.22 111.122 179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 10.2 tt0 -77.47 -36.82 52.43 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 75.43 110.882 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.543 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.03 -38.34 70.42 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.151 -0.477 . . . . 73.34 110.93 -179.864 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.0 -35.4 61.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.081 -0.509 . . . . 73.11 110.905 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 18.5 m-70 -87.14 -25.56 24.04 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 62.13 110.848 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.483 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -55.47 -31.7 62.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.237 -0.438 . . . . 73.45 110.913 -179.836 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.821 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.4 t -86.3 -22.01 7.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.105 -0.498 . . . . 71.03 111.125 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -62.85 -36.72 84.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.473 . . . . 72.0 110.914 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -75.99 -34.98 59.76 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.223 -0.444 . . . . 71.55 110.881 179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -52.37 -46.16 66.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 71.52 110.925 179.955 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 48.9 m-85 -46.78 -31.65 3.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.23 -0.441 . . . . 75.14 110.847 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -48.57 -50.8 30.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.172 -0.467 . . . . 70.4 110.882 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.6 pt -99.87 -28.61 3.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.182 -0.463 . . . . 64.34 111.12 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.66 25.49 8.09 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.756 -0.735 . . . . 73.12 112.484 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -57.64 -66.19 0.51 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.784 0.326 . . . . 71.0 110.866 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.715 ' HB ' HD23 ' A' ' 25' ' ' LEU . 42.7 mm -110.94 144.72 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 65.53 111.15 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 32.1 p -92.04 163.93 13.8 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.198 -0.455 . . . . 62.11 111.161 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.703 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -55.64 -30.53 61.13 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.273 -0.421 . . . . 74.02 110.886 179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -47.78 -35.41 9.94 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.192 -0.458 . . . . 65.43 110.891 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.546 HD22 HG23 ' A' ' 31' ' ' ILE . 0.9 OUTLIER -81.88 -48.44 11.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.463 . . . . 32.34 110.918 -179.967 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.651 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -51.69 -35.94 44.64 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.176 -0.465 . . . . 73.31 110.882 -179.98 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.703 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -81.68 -54.29 10.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.488 . . . . 71.34 111.116 179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -51.96 -58.26 7.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.46 . . . . 75.32 110.889 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.492 HD11 HD11 ' A' ' 7' ' ' LEU . 3.9 mm? -54.52 -36.98 64.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.153 -0.476 . . . . 71.31 110.916 -179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 20.8 t -88.46 87.14 7.18 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 63.24 110.841 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 23.0 t -114.73 54.24 0.78 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.124 -0.489 . . . . 54.32 110.885 -179.856 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -121.98 115.62 22.85 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.118 -0.492 . . . . 75.22 110.881 179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.363 0 CA-C-N 116.231 -0.44 . . . . 54.32 110.869 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.77 0.319 . . . . 65.54 110.863 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 2.3 p30 -152.88 95.71 2.01 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.23 -0.441 . . . . 73.22 110.858 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.443 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -111.9 -36.05 5.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.176 -0.466 . . . . 75.22 110.901 179.898 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 5.7 mm-40 -82.18 -40.5 21.66 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 75.32 110.888 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-160 -74.12 -42.73 59.59 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.452 . . . . 73.24 110.868 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.639 HD11 HD11 ' A' ' 25' ' ' LEU . 9.0 tt -56.84 -31.35 35.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 74.51 111.13 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 35' ' ' LEU . 0.4 OUTLIER -54.06 -29.15 42.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.152 -0.476 . . . . 72.43 110.884 179.932 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -74.25 -32.4 62.94 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.35 111.106 179.808 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.509 ' O ' HD22 ' A' ' 13' ' ' LEU . 91.5 mm-40 -62.63 -57.22 11.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.24 -0.436 . . . . 63.0 110.868 -179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.403 ' HD3' HD23 ' A' ' 39' ' ' LEU . 0.0 OUTLIER -55.11 -24.9 28.18 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.251 -0.431 . . . . 62.22 110.941 179.948 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.9 tt0 -68.75 -28.36 66.74 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.196 -0.456 . . . . 73.43 110.887 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -74.41 -62.42 1.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 53.31 111.128 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.571 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.3 OUTLIER -51.56 149.92 4.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 72.31 110.916 179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.415 ' CB ' ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.35 164.63 0.47 Allowed Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.641 0.734 . . . . 72.14 111.089 179.977 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.415 ' HD2' ' CB ' ' A' ' 14' ' ' THR . 53.7 Cg_endo -69.77 -21.44 33.45 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.729 2.286 . . . . 72.15 112.313 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.8 mm -88.42 -32.15 5.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 74.11 111.166 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 34.6 mm-40 -81.82 -36.05 28.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 72.44 110.895 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.99 -39.15 68.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 65.4 110.932 -179.862 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 4.8 mt-10 -52.51 -29.93 27.64 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.152 -0.476 . . . . 61.5 110.884 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 47.2 m-70 -87.53 -27.03 22.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.157 -0.474 . . . . 74.33 110.904 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.402 ' CE2' ' HB3' ' A' ' 10' ' ' LYS . 0.0 OUTLIER -55.02 -28.24 50.62 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.15 -0.477 . . . . 70.34 110.933 -179.88 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.621 HG11 ' HB2' ' A' ' 36' ' ' TYR . 91.0 t -81.19 -20.65 11.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.32 111.13 179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 34.5 mmtt -61.6 -47.33 85.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 74.33 110.916 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -65.49 -38.19 89.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.238 -0.437 . . . . 72.45 110.818 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.639 HD11 HD11 ' A' ' 6' ' ' ILE . 4.9 mp -51.96 -46.03 64.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.236 -0.438 . . . . 43.32 110.903 -179.945 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 27.0 m-85 -46.64 -33.16 3.99 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 65.14 110.906 179.929 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.3 t70 -49.4 -40.16 35.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 62.35 110.89 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.4 pt -107.08 -28.35 2.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 71.22 111.132 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 95.06 27.14 11.28 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.745 -0.741 . . . . 55.52 112.513 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -56.8 -63.43 1.21 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.866 0.365 . . . . 70.44 110.903 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.547 ' HB ' HD23 ' A' ' 25' ' ' LEU . 37.4 mm -111.1 145.44 17.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 72.34 111.12 179.981 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 28.9 p -84.68 151.29 24.54 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.133 -0.485 . . . . 70.24 111.144 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.722 ' O ' HD12 ' A' ' 37' ' ' ILE . 21.7 mtmt -50.7 -30.88 14.9 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 73.11 110.854 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 32.3 mt-10 -48.1 -36.11 12.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.285 -0.416 . . . . 62.45 110.861 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.633 HD21 HD21 ' A' ' 7' ' ' LEU . 0.9 OUTLIER -75.4 -50.36 16.1 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.164 -0.471 . . . . 64.15 110.98 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.621 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.5 OUTLIER -55.26 -34.99 64.53 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 74.15 110.941 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.722 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.37 -50.87 16.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.121 -0.49 . . . . 62.12 111.129 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 33.3 tt0 -57.51 -58.86 6.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.155 -0.475 . . . . 71.23 110.886 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.403 HD23 ' HD3' ' A' ' 10' ' ' LYS . 10.8 mp -54.97 -36.75 65.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.211 -0.45 . . . . 65.34 110.929 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 9.6 t -96.46 81.09 3.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 52.31 110.855 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -100.56 52.91 0.87 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.155 -0.475 . . . . 74.35 110.854 -179.796 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -103.87 176.78 5.04 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.481 . . . . 73.53 110.871 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.232 -0.44 . . . . 73.22 110.921 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.7 mtt . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.831 0.348 . . . . 71.54 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 5.6 m120 -155.07 106.29 2.61 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.202 -0.454 . . . . 62.42 110.88 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.64 ' HA ' HD11 ' A' ' 31' ' ' ILE . 22.9 pttt -117.95 -35.85 3.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 71.22 110.932 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 7.3 mt-10 -82.26 -37.33 26.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.2 -0.455 . . . . 73.52 110.909 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.6 t60 -75.9 -44.29 41.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 74.42 110.861 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.625 HD11 HD11 ' A' ' 25' ' ' LEU . 8.5 tt -56.36 -33.81 39.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 73.11 111.113 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.553 HD13 HD23 ' A' ' 35' ' ' LEU . 6.5 tp -61.13 -34.48 75.06 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.163 -0.471 . . . . 72.13 110.927 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.93 -29.12 18.86 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 72.23 111.122 179.788 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.402 ' O ' HD13 ' A' ' 13' ' ' LEU . 23.4 mm-40 -70.97 -57.97 4.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.211 -0.449 . . . . 71.51 110.922 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.425 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 0.6 OUTLIER -56.54 -21.43 26.26 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 74.23 110.861 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -69.32 -24.34 63.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 72.34 110.888 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 t -100.08 -45.07 11.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 55.22 111.151 179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.402 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.5 mp -50.74 158.62 0.63 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 73.14 110.973 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.404 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -62.59 162.86 17.62 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.57 0.7 . . . . 73.31 111.149 179.943 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.404 ' HD2' HG22 ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.76 -28.56 25.1 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.676 2.25 . . . . 42.23 112.342 179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 1.9 mt -84.17 -32.31 8.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 61.44 111.166 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.61 -35.51 39.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.141 -0.482 . . . . 74.15 110.855 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -58.92 -39.13 80.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.41 110.947 -179.877 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -51.34 -33.73 30.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.13 -0.486 . . . . 72.42 110.919 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m-70 -87.48 -28.16 22.22 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 73.02 110.871 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.463 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -53.76 -33.35 55.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 71.45 110.93 -179.854 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.829 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.3 t -82.91 -21.76 9.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.124 -0.489 . . . . 73.1 111.097 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.5 mmmt -64.58 -35.92 82.54 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.215 -0.448 . . . . 64.43 110.871 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.7 t60 -75.55 -32.88 60.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 72.34 110.855 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.829 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -55.49 -49.67 71.94 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.193 -0.458 . . . . 65.15 110.916 -179.954 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.4 ' CE1' HG12 ' A' ' 22' ' ' VAL . 44.0 m-85 -45.79 -32.73 2.69 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.198 -0.455 . . . . 64.2 110.863 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -48.75 -50.28 34.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.134 -0.485 . . . . 71.33 110.864 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.5 pt -99.06 -27.5 3.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.18 -0.464 . . . . 71.23 111.138 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.7 29.92 7.49 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 73.21 112.436 179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.403 ' HB3' ' HG ' ' A' ' 25' ' ' LEU . 1.2 tp10 -66.0 -63.07 1.17 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.843 0.354 . . . . 73.32 110.916 -179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.811 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.0 mm -111.14 144.72 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.126 -0.488 . . . . 61.01 111.138 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 81.8 p -91.41 164.75 13.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.176 -0.466 . . . . 53.31 111.136 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.699 ' O ' HD12 ' A' ' 37' ' ' ILE . 15.0 mtmt -59.07 -30.51 68.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 64.32 110.884 179.925 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -49.92 -35.64 24.65 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.222 -0.445 . . . . 70.33 110.892 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.659 HD22 HG23 ' A' ' 31' ' ' ILE . 1.1 mp -78.09 -42.22 32.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 65.45 110.883 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.696 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.7 OUTLIER -61.93 -36.98 82.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 74.11 110.965 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.699 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -80.09 -40.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.093 -0.503 . . . . 54.42 111.133 179.883 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 70.6 mt-10 -64.97 -58.25 6.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.143 -0.481 . . . . 75.54 110.908 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.425 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 3.9 mm? -53.68 -36.35 62.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.145 -0.48 . . . . 74.45 110.916 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 98.7 p -81.43 67.69 7.47 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 65.1 110.895 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.0 t -93.09 58.15 2.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.121 -0.491 . . . . 71.11 110.858 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -117.74 -50.62 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.138 -0.483 . . . . 72.44 110.897 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.7 pp . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.146 -0.479 . . . . 71.22 110.907 -179.996 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 44.6 mtm . . . . . 0 C--O 1.23 0.044 0 CA-C-O 120.835 0.35 . . . . 62.1 110.882 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 4.5 m120 -132.51 -63.25 0.8 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.1 110.903 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.416 ' O ' HD23 ' A' ' 7' ' ' LEU . 1.4 pttt -51.88 -42.57 62.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 74.33 110.899 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 57.8 mt-10 -72.96 -35.92 67.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 73.15 110.922 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -61.67 -59.49 5.11 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.168 -0.469 . . . . 54.11 110.847 -179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.729 HD12 HD11 ' A' ' 25' ' ' LEU . 19.6 pt -58.17 -33.79 47.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 73.23 111.091 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.651 HD22 ' OH ' ' A' ' 21' ' ' TYR . 0.2 OUTLIER -50.36 -52.52 36.41 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.207 -0.451 . . . . 72.11 110.935 179.921 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.12 -29.99 14.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.177 -0.465 . . . . 72.31 111.129 179.741 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 71.4 mm-40 -66.22 -46.23 77.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 70.32 110.914 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.478 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -65.59 -13.2 58.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.439 . . . . 64.23 110.894 179.955 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -97.77 6.08 48.33 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.228 -0.442 . . . . 72.21 110.882 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 17.9 m -134.47 24.66 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.174 -0.467 . . . . 64.25 111.124 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.7 pp -138.63 156.93 47.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.17 -0.468 . . . . 70.44 110.913 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.1 OUTLIER -51.26 162.06 0.69 Allowed Pre-proline 0 C--N 1.33 -0.244 0 CA-C-O 121.627 0.727 . . . . 52.25 111.117 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -27.89 26.03 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.669 2.246 . . . . 72.13 112.326 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.3 mt -73.2 -34.7 45.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.234 -0.439 . . . . 64.34 111.121 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -76.44 -40.26 51.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.15 -0.477 . . . . 53.5 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -54.85 -35.35 63.9 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 73.44 110.896 -179.839 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.23 -35.53 65.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 65.14 110.905 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.2 m-70 -87.72 -26.93 22.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.137 -0.483 . . . . 71.15 110.864 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.651 ' OH ' HD22 ' A' ' 7' ' ' LEU . 0.2 OUTLIER -51.8 -34.75 41.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 72.15 110.94 -179.864 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.806 ' HA ' HD22 ' A' ' 25' ' ' LEU . 54.6 t -86.0 -21.8 7.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.112 -0.495 . . . . 70.2 111.119 179.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 7.3 mmtt -65.93 -40.9 91.83 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.181 -0.463 . . . . 73.41 110.902 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.7 t60 -72.59 -33.31 66.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.218 -0.446 . . . . 61.12 110.864 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.806 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.39 -50.18 68.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.44 110.914 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.487 ' CE1' HG12 ' A' ' 22' ' ' VAL . 47.1 m-85 -45.19 -33.51 2.32 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 72.21 110.894 179.95 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.8 t0 -49.43 -50.43 40.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 71.3 110.858 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -96.91 -27.57 3.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 60.14 111.082 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.31 29.03 8.14 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.762 -0.732 . . . . 71.33 112.522 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -66.26 -64.37 0.87 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-O 120.823 0.344 . . . . 75.11 110.88 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.803 ' HB ' HD23 ' A' ' 25' ' ' LEU . 50.1 mm -111.11 141.35 26.73 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.148 -0.478 . . . . 72.34 111.169 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 37.6 p -93.51 168.09 11.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.455 . . . . 71.12 111.095 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.693 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.2 OUTLIER -57.16 -29.96 64.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.199 -0.455 . . . . 55.43 110.918 179.902 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -47.88 -35.57 10.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.189 -0.459 . . . . 73.24 110.869 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.607 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -81.58 -47.98 12.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.146 -0.479 . . . . 73.34 110.891 -179.963 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.728 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.93 -38.44 56.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.244 -0.434 . . . . 52.33 110.943 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.693 HD12 ' O ' ' A' ' 33' ' ' LYS . 1.9 mp -78.07 -53.81 13.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.095 -0.502 . . . . 54.22 111.164 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -52.45 -58.14 7.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 71.01 110.849 179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.58 -46.25 70.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.465 . . . . 70.41 110.916 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.9 t -55.44 -74.09 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 73.45 110.871 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 4.4 m 57.5 48.08 15.11 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.109 -0.496 . . . . 50.11 110.858 -179.833 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -120.03 128.24 53.34 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.106 -0.497 . . . . 71.01 110.838 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 81.7 mt . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 70.42 110.959 -179.996 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 16.2 mtm . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.796 0.331 . . . . 71.44 110.901 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 12.5 p30 -109.51 159.33 17.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.257 -0.429 . . . . 74.02 110.872 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -179.57 -35.69 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.157 -0.474 . . . . 54.53 110.927 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -82.19 -37.36 26.2 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.21 110.891 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 40.3 t60 -75.98 -44.26 40.6 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 74.44 110.86 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.437 HD11 HD11 ' A' ' 25' ' ' LEU . 8.6 tt -56.65 -34.25 41.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.461 . . . . 54.42 111.165 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -54.8 -30.3 56.69 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.185 -0.461 . . . . 60.11 110.895 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.435 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -62.19 -33.88 75.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 72.43 111.116 179.776 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 35.6 mm-40 -66.17 -58.42 5.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 72.4 110.932 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -55.65 -24.68 35.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 74.34 110.916 179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -68.9 -24.66 64.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 70.34 110.896 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.435 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.6 t -95.67 -47.0 13.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 64.42 111.15 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . . . . . . . . . 10.0 mp -50.74 156.15 1.0 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.11 110.894 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -56.86 162.07 4.03 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.538 0.685 . . . . 74.21 111.161 179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -28.41 25.51 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.67 2.247 . . . . 71.32 112.366 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 7.2 mm -84.9 -33.85 8.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 71.11 111.129 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -77.63 -35.89 52.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.853 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -58.46 -41.94 86.3 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.146 -0.479 . . . . 71.31 110.922 -179.806 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 33.9 mt-10 -51.89 -32.78 33.92 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.121 -0.49 . . . . 71.02 110.908 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 22.1 m-70 -87.32 -27.37 22.89 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.182 -0.463 . . . . 64.13 110.874 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.467 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.92 -30.5 58.6 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.158 -0.474 . . . . 41.13 110.905 -179.837 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.817 ' HA ' HD22 ' A' ' 25' ' ' LEU . 72.6 t -81.88 -21.22 10.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.02 111.098 179.943 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.3 mmtm -63.42 -36.72 84.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 62.3 110.883 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -74.84 -34.46 62.31 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.193 -0.458 . . . . 73.15 110.862 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.817 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.37 -49.18 67.73 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.207 -0.452 . . . . 75.24 110.898 -179.977 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 35.2 m-85 -45.07 -33.41 2.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 73.05 110.865 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 6.1 t70 -50.89 -50.19 57.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.196 -0.456 . . . . 74.13 110.839 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.7 pt -95.08 -27.7 4.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 63.12 111.122 -179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 97.04 29.44 8.02 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.758 -0.734 . . . . 45.23 112.495 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -66.91 -66.33 0.57 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.823 0.344 . . . . 75.03 110.942 -179.9 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.756 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.2 mt -111.63 143.32 21.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.145 -0.48 . . . . 52.45 111.122 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 30.8 p -98.58 167.49 10.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 64.45 111.123 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.415 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -54.47 -29.85 51.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 61.15 110.888 179.903 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 4.6 tt0 -49.38 -34.33 15.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.444 . . . . 73.54 110.922 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . . . . . . . . . 1.1 tp -86.77 -50.47 6.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.482 . . . . 75.44 110.893 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.704 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -50.67 -43.77 57.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.191 -0.459 . . . . 64.21 110.913 -179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.415 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mt -75.39 -52.25 18.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.143 -0.48 . . . . 61.05 111.127 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -50.85 -58.37 6.14 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 74.51 110.911 179.91 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -53.77 -46.55 71.02 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.147 -0.478 . . . . 75.32 110.878 -179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 3.6 m -59.93 -73.75 0.08 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.434 . . . . 71.35 110.889 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.4 m 58.41 36.31 25.34 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.127 -0.488 . . . . 71.14 110.866 -179.838 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 2.4 p30 -100.59 -36.47 9.15 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.158 -0.474 . . . . 73.52 110.841 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 2.6 pp . . . . . 0 C--N 1.328 -0.34 0 CA-C-N 116.212 -0.449 . . . . 73.13 110.919 -179.95 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.229 0.026 0 CA-C-O 120.797 0.332 . . . . 65.21 110.858 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 33.3 m120 -122.9 -49.32 1.98 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.235 -0.439 . . . . 73.44 110.873 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' HB2' HD11 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -149.92 31.24 0.7 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 72.04 110.922 179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -82.89 -38.93 22.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 75.03 110.937 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.2 t-160 -79.92 -40.99 26.99 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.163 -0.471 . . . . 35.3 110.856 179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . . . . . . . . . 8.4 tt -54.86 -31.79 25.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.226 -0.443 . . . . 75.31 111.163 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.538 HD22 ' HE3' ' A' ' 10' ' ' LYS . 0.2 OUTLIER -54.35 -38.85 66.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.193 -0.458 . . . . 74.55 110.904 179.9 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.555 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.87 -33.74 73.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 61.02 111.07 179.83 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.487 ' O ' HG22 ' A' ' 12' ' ' VAL . 25.6 mm-40 -59.27 -56.57 20.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.255 -0.43 . . . . 72.01 110.911 -179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.538 ' HE3' HD22 ' A' ' 7' ' ' LEU . 7.5 ptpt -69.09 -11.51 60.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 74.52 110.873 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -91.55 -25.19 19.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.216 -0.447 . . . . 70.5 110.88 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.555 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.6 m -91.65 18.12 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 53.4 111.099 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.501 HD21 ' HA ' ' A' ' 10' ' ' LYS . 2.2 pp -138.35 156.07 47.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 63.42 110.947 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -51.2 162.44 0.63 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.552 0.691 . . . . 72.42 111.16 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -29.43 23.89 Favored 'Trans proline' 0 C--O 1.231 0.152 0 C-N-CA 122.678 2.252 . . . . 74.03 112.296 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.5 mt -73.32 -33.8 41.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 72.53 111.09 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -77.66 -36.85 50.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 73.23 110.872 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.428 ' HB2' HD11 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -56.21 -38.28 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.155 -0.475 . . . . 74.53 110.892 -179.847 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -56.73 -35.72 68.9 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.127 -0.488 . . . . 64.15 110.867 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 50.3 m-70 -87.0 -17.98 31.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.147 -0.479 . . . . 74.52 110.809 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.511 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -64.72 -30.08 71.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.263 -0.426 . . . . 73.42 110.916 -179.834 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.802 ' HA ' HD22 ' A' ' 25' ' ' LEU . 77.3 t -83.14 -21.51 8.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.083 -0.508 . . . . 73.35 111.102 179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 1.3 mptp? -62.22 -39.74 93.81 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.23 110.921 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.3 t60 -73.1 -35.84 66.67 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 74.51 110.886 179.865 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.802 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -51.85 -46.68 64.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.212 -0.449 . . . . 72.31 110.914 179.999 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 46.6 m-85 -46.54 -32.69 3.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.44 110.896 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 19.8 t0 -49.37 -50.47 40.0 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 74.31 110.848 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.6 pt -97.61 -27.37 3.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 75.32 111.105 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 96.88 29.14 8.27 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.754 -0.736 . . . . 35.22 112.542 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.4 tp10 -65.71 -63.26 1.13 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.836 0.351 . . . . 70.45 110.872 -179.854 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.787 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.7 mm -111.12 141.07 27.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 72.35 111.158 179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 72.6 p -88.51 166.36 14.23 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.173 -0.467 . . . . 73.03 111.156 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.708 ' O ' HD12 ' A' ' 37' ' ' ILE . 16.6 mtmt -60.22 -31.52 70.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 72.13 110.889 179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -50.12 -35.62 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 71.33 110.844 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.645 HD22 HG23 ' A' ' 31' ' ' ILE . 1.0 OUTLIER -78.04 -43.74 28.48 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.154 -0.476 . . . . 71.2 110.89 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.605 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.9 OUTLIER -61.01 -36.88 80.67 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.195 -0.457 . . . . 75.41 110.899 -179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.708 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -81.13 -38.15 16.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.151 -0.477 . . . . 72.33 111.097 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -67.7 -58.35 4.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 75.22 110.838 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -54.27 -35.75 62.87 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.192 -0.458 . . . . 74.12 110.927 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 22.6 t -90.0 83.03 6.08 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.205 -0.452 . . . . 53.44 110.874 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.1 p -101.54 59.12 0.87 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.111 -0.495 . . . . 74.53 110.815 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -118.17 117.15 28.39 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.178 -0.465 . . . . 74.35 110.87 179.921 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.328 -0.346 0 CA-C-N 116.2 -0.455 . . . . 45.03 110.925 -179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.097 0 CA-C-O 120.725 0.298 . . . . 55.31 110.916 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 10.2 m-20 -140.84 149.49 42.06 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.263 -0.426 . . . . 73.3 110.87 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.743 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -167.15 -44.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 63.12 110.92 179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.3 mt-10 -82.51 -38.7 23.46 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.2 -0.454 . . . . 64.34 110.868 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 1.2 t-160 -78.7 -41.52 30.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.173 -0.467 . . . . 71.22 110.909 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.603 HG21 HD11 ' A' ' 31' ' ' ILE . 7.9 tt -55.11 -33.55 30.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 65.35 111.142 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.743 HD23 ' O ' ' A' ' 3' ' ' LYS . 3.0 mm? -65.29 -41.91 93.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.191 -0.459 . . . . 75.45 110.928 179.895 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.01 -32.23 20.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 71.44 111.084 179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.579 ' O ' HD13 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -55.55 -58.45 7.73 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.45 . . . . 73.21 110.923 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.455 ' CD ' HD13 ' A' ' 7' ' ' LEU . 10.0 ptmt -60.47 -18.36 51.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.187 -0.461 . . . . 62.54 110.891 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.5 -23.37 61.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 65.12 110.871 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 2.4 m -112.39 -38.94 3.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 74.15 111.108 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.579 HD13 ' O ' ' A' ' 9' ' ' GLN . 9.3 mp -50.34 159.45 0.47 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.179 -0.464 . . . . 75.32 110.899 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -59.53 162.52 8.47 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.541 0.686 . . . . 61.33 111.141 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 -27.75 26.15 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.683 2.255 . . . . 52.42 112.333 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 6.1 mm -81.24 -32.78 12.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 64.03 111.097 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 22.3 mt-10 -81.38 -33.86 32.05 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.228 -0.442 . . . . 63.42 110.899 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -60.54 -33.1 72.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.149 -0.478 . . . . 71.51 110.894 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 58.6 tt0 -63.0 -40.01 96.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 60.01 110.871 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 27.9 m-70 -87.85 -19.42 27.44 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 75.43 110.863 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.569 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.4 OUTLIER -51.04 -32.23 21.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 70.21 110.948 -179.836 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.721 ' HA ' HD22 ' A' ' 25' ' ' LEU . 79.1 t -93.35 -21.88 5.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.086 -0.506 . . . . 73.05 111.128 179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -56.42 -42.76 78.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.143 -0.48 . . . . 75.31 110.92 179.862 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -72.67 -36.4 67.92 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.204 -0.453 . . . . 74.1 110.836 179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.721 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.3 OUTLIER -51.06 -44.65 61.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.443 . . . . 71.34 110.913 -179.912 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 59.0 m-85 -46.91 -32.5 3.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 63.4 110.876 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 23.7 t0 -49.43 -50.55 40.3 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 64.23 110.873 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 6.2 pt -97.31 -27.17 3.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.174 -0.466 . . . . 70.42 111.155 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.53 29.45 9.38 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.496 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.631 ' HB3' HD12 ' A' ' 31' ' ' ILE . 2.1 tp10 -61.41 -65.51 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.813 0.339 . . . . 71.44 110.853 -179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.637 ' HB ' HD23 ' A' ' 25' ' ' LEU . 3.6 mp -111.32 140.93 28.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 75.02 111.128 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.2 p -79.15 149.5 31.98 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.459 . . . . 75.34 111.185 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.07 -33.76 27.17 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.286 -0.415 . . . . 70.41 110.868 179.914 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.9 mt-10 -48.15 -35.65 12.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.25 -0.432 . . . . 75.11 110.838 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.693 HD23 HD11 ' A' ' 7' ' ' LEU . 1.0 OUTLIER -73.77 -40.78 63.22 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.218 -0.446 . . . . 70.51 110.925 -179.972 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . . . . . . . . . 2.4 t80 -53.45 -40.18 65.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.164 -0.471 . . . . 75.43 110.933 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 3.8 mp -85.95 -42.01 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.138 -0.483 . . . . 74.41 111.157 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -52.07 -57.67 8.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.147 -0.478 . . . . 64.12 110.891 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -53.54 -35.86 61.18 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.169 -0.469 . . . . 74.03 110.951 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -52.02 -61.23 2.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.134 -0.485 . . . . 74.43 110.89 -179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.5 t 56.6 43.79 25.01 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.106 -0.497 . . . . 75.22 110.86 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 17.0 t0 -116.57 104.58 11.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 72.01 110.869 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.207 -0.452 . . . . 72.31 110.939 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.6 mmt . . . . . 0 N--CA 1.458 -0.058 0 CA-C-O 120.822 0.344 . . . . 72.34 110.886 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 -124.35 42.96 3.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 74.24 110.858 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 2.8 tttt -115.93 -39.29 3.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 73.51 110.884 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.3 mm-40 -82.23 -38.55 24.36 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 74.13 110.869 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.6 -41.61 54.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 73.11 110.89 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.641 HD11 HD11 ' A' ' 25' ' ' LEU . 8.7 tt -56.9 -28.98 29.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.231 -0.441 . . . . 72.13 111.152 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -56.26 -22.73 31.73 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.19 -0.459 . . . . 74.23 110.899 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.635 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -86.55 -23.57 25.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 65.33 111.102 179.827 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.5 ' O ' HG22 ' A' ' 12' ' ' VAL . 93.8 mm-40 -65.43 -54.78 23.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 62.34 110.885 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.567 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.0 OUTLIER -69.5 -10.82 59.71 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.211 -0.45 . . . . 65.13 110.883 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -92.07 -24.54 19.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 72.1 110.884 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.635 HG13 ' O ' ' A' ' 8' ' ' ALA . 35.2 m -92.12 20.34 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 63.35 111.168 179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.567 HD21 ' HA ' ' A' ' 10' ' ' LYS . 1.7 pp -138.63 161.26 37.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.177 -0.465 . . . . 72.22 110.941 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.445 HG22 ' HD2' ' A' ' 15' ' ' PRO . 0.1 OUTLIER -51.18 161.96 0.68 Allowed Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.55 0.691 . . . . 63.42 111.187 179.941 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.445 ' HD2' HG22 ' A' ' 14' ' ' THR . 53.2 Cg_endo -69.81 -30.72 21.58 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.659 2.239 . . . . 71.21 112.361 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.0 mm -74.8 -33.61 31.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 65.3 111.061 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -75.02 -38.33 61.55 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.435 . . . . 72.0 110.913 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.441 ' HA ' ' HB3' ' A' ' 21' ' ' TYR . 0.0 OUTLIER -56.02 -43.68 78.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.114 -0.494 . . . . 71.33 110.949 -179.875 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 19.2 mt-10 -54.25 -38.54 65.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.122 -0.49 . . . . 74.42 110.9 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 93.7 m-70 -84.12 -24.58 30.23 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.135 -0.484 . . . . 73.35 110.887 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -56.46 -26.39 53.8 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.206 -0.452 . . . . 72.3 110.941 -179.889 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.804 ' HA ' HD22 ' A' ' 25' ' ' LEU . 98.3 t -82.53 -19.3 10.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 62.22 111.116 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 47.0 mmtt -57.0 -41.9 79.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.187 -0.46 . . . . 75.24 110.855 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -73.34 -35.78 66.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 74.04 110.85 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.814 HD23 ' HB ' ' A' ' 31' ' ' ILE . 0.3 OUTLIER -52.05 -45.11 64.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 73.15 110.9 -179.961 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 42.2 m-85 -48.73 -30.99 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 74.44 110.909 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -48.59 -51.22 29.0 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.101 -0.5 . . . . 74.41 110.868 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 9.0 pt -100.02 -28.57 3.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 72.23 111.143 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 101.36 24.46 8.86 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.704 -0.76 . . . . 52.05 112.47 179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -56.89 -65.07 0.68 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.834 0.35 . . . . 72.22 110.891 -179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.814 ' HB ' HD23 ' A' ' 25' ' ' LEU . 48.6 mm -111.1 132.79 58.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 73.44 111.135 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 33.8 p -84.42 164.05 19.12 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.18 -0.463 . . . . 60.13 111.121 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -56.04 -30.69 62.28 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.231 -0.441 . . . . 71.41 110.9 179.924 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -49.21 -35.93 18.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 70.43 110.906 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.59 HD22 HD12 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -80.66 -49.48 11.18 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.51 110.895 -179.942 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.405 ' HB2' HG11 ' A' ' 22' ' ' VAL . 3.6 t80 -51.87 -36.78 49.74 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.177 -0.465 . . . . 74.13 110.919 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -82.1 -53.69 11.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 73.4 111.112 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.1 mm-40 -51.3 -58.76 5.32 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 74.42 110.851 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.5 mp -58.33 -35.74 72.35 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 71.41 110.89 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -59.76 -72.31 0.11 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.156 -0.475 . . . . 70.14 110.827 -179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.9 t 62.93 38.09 11.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.155 -0.475 . . . . 72.43 110.838 -179.814 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -129.7 171.64 12.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.158 -0.474 . . . . 71.11 110.861 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 65.33 110.936 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.23 0.03 0 CA-C-O 120.807 0.337 . . . . 72.33 110.905 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 23.0 m120 -84.23 -173.93 4.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.207 -0.451 . . . . 70.45 110.894 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.421 ' HE2' HD13 ' A' ' 35' ' ' LEU . 1.2 pttp -123.79 33.45 5.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.185 -0.462 . . . . 75.53 110.908 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 36.7 mt-10 -82.69 -43.08 17.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 53.32 110.846 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 11.0 p80 -83.31 -36.28 24.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.168 -0.469 . . . . 64.42 110.87 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.827 HD11 HD11 ' A' ' 25' ' ' LEU . 7.0 tt -53.74 -33.6 23.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.33 111.166 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.409 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 tp -55.83 -35.62 66.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.125 -0.489 . . . . 74.55 110.952 179.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.563 ' O ' HG13 ' A' ' 12' ' ' VAL . . . -60.13 -34.7 73.89 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 53.31 111.106 179.824 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 75.1 mm-40 -63.26 -42.83 99.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 71.24 110.926 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.483 ' HA ' HD21 ' A' ' 13' ' ' LEU . 0.9 OUTLIER -85.79 -12.12 51.74 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.216 -0.447 . . . . 54.3 110.919 179.925 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -93.95 5.31 52.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.229 -0.442 . . . . 75.41 110.913 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.563 HG13 ' O ' ' A' ' 8' ' ' ALA . 26.7 m -128.36 24.96 2.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 73.34 111.161 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.483 HD21 ' HA ' ' A' ' 10' ' ' LYS . 0.8 OUTLIER -138.18 169.63 17.44 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.212 -0.449 . . . . 73.43 110.906 -179.994 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -55.46 161.36 3.0 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.54 0.686 . . . . 74.05 111.193 179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -21.08 33.81 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 73.25 112.345 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.2 mt -80.55 -32.92 13.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.226 -0.443 . . . . 73.24 111.102 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 mt-10 -79.82 -36.1 37.38 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 74.34 110.877 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -62.44 -30.98 71.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.142 -0.481 . . . . 63.41 110.953 -179.846 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 17.1 mt-10 -64.64 -62.23 1.71 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.33 110.9 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -71.22 -14.81 62.37 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.094 -0.503 . . . . 44.02 110.865 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -54.6 -28.47 46.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.452 . . . . 71.44 110.92 -179.815 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.855 ' HA ' HD22 ' A' ' 25' ' ' LEU . 88.0 t -81.49 -19.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.13 -0.486 . . . . 63.34 111.113 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 17.2 mmtp -59.5 -35.68 74.61 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 73.03 110.923 179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 2.8 t60 -76.1 -33.63 59.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 61.35 110.834 179.901 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.855 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -54.69 -50.58 67.91 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.33 110.929 -179.939 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 47.8 m-85 -45.43 -33.01 2.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.156 -0.474 . . . . 64.42 110.917 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 45.6 t0 -49.99 -50.92 45.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 64.42 110.883 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.7 pt -96.3 -28.65 3.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.171 -0.468 . . . . 55.35 111.141 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.61 26.13 8.26 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.749 -0.739 . . . . 64.44 112.467 179.889 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -61.82 -69.27 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.836 0.35 . . . . 74.13 110.899 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.801 ' HB ' HD23 ' A' ' 25' ' ' LEU . 58.9 mt -112.08 144.83 19.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 51.52 111.172 179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 50.1 p -101.13 169.45 8.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.186 -0.461 . . . . 74.14 111.145 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 16.2 mtmt -52.65 -28.37 21.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 60.34 110.947 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.8 mm-40 -46.52 -34.4 4.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.175 -0.466 . . . . 73.05 110.893 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.43 ' CD2' HD13 ' A' ' 31' ' ' ILE . 1.5 tp -88.02 -56.0 3.52 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.148 -0.478 . . . . 71.41 110.923 -179.946 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.409 ' HB2' HG11 ' A' ' 22' ' ' VAL . 50.8 t80 -49.82 -34.78 20.73 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.201 -0.454 . . . . 74.24 110.927 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 15.9 mm -71.95 -60.76 2.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.112 -0.495 . . . . 75.32 111.132 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 20.5 tt0 -54.08 -55.03 31.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.4 110.912 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -53.17 -36.48 60.94 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.148 -0.478 . . . . 71.02 110.937 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 35.7 t -81.7 86.18 6.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.143 -0.48 . . . . 63.55 110.867 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 67.6 m -104.23 47.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.54 110.906 -179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -112.23 145.57 39.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.077 -0.51 . . . . 65.1 110.929 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 74.4 110.927 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 CA--C 1.526 0.039 0 CA-C-O 120.807 0.337 . . . . 74.02 110.844 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 20.5 m120 -82.33 135.72 35.14 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 74.32 110.889 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.508 ' O ' HD23 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -178.94 -35.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.166 -0.47 . . . . 75.0 110.893 179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 64.1 mt-10 -80.94 -38.01 28.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 61.21 110.842 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -76.44 -45.08 32.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.129 -0.487 . . . . 75.21 110.834 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.821 HD11 HD11 ' A' ' 25' ' ' LEU . 8.1 tt -55.99 -33.83 36.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.269 -0.423 . . . . 62.43 111.112 179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.689 HD13 ' HG2' ' A' ' 10' ' ' LYS . 2.6 mm? -71.93 -31.99 66.89 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.198 -0.455 . . . . 74.31 110.933 179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . . . . . . . . . . . -51.06 -29.28 12.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.211 -0.45 . . . . 62.14 111.086 179.79 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.6 ' O ' HD13 ' A' ' 13' ' ' LEU . 75.5 mm-40 -71.26 -58.97 3.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.244 -0.435 . . . . 71.03 110.9 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.689 ' HG2' HD13 ' A' ' 7' ' ' LEU . 0.0 OUTLIER -59.83 -17.83 39.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 65.22 110.895 179.958 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -70.72 -25.51 62.98 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.228 -0.442 . . . . 74.43 110.865 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.2 m -111.77 -36.59 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.44 111.164 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.6 HD13 ' O ' ' A' ' 9' ' ' GLN . 8.9 mp -50.6 160.61 0.4 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.109 -0.496 . . . . 72.44 110.933 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -66.69 162.3 52.64 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.548 0.69 . . . . 72.2 111.191 179.905 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -28.84 25.01 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.735 2.29 . . . . 63.25 112.351 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.6 mt -79.99 -35.41 16.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.209 -0.45 . . . . 74.24 111.093 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 2.9 mt-10 -79.02 -34.42 43.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 75.13 110.877 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -59.46 -35.48 74.14 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 75.3 110.947 -179.868 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 3.6 mt-10 -52.6 -35.84 55.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.088 -0.505 . . . . 54.11 110.858 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.6 m-70 -88.09 -27.78 21.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.142 -0.481 . . . . 72.45 110.849 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.533 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.27 -33.52 28.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.213 -0.448 . . . . 60.0 110.915 -179.817 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.779 ' HA ' HD22 ' A' ' 25' ' ' LEU . 78.9 t -91.0 -21.31 6.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.137 -0.483 . . . . 71.24 111.19 179.886 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 3.2 mmtp -61.62 -39.59 91.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.12 -0.491 . . . . 53.24 110.89 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -75.67 -35.31 60.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.241 -0.436 . . . . 63.42 110.872 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.821 HD11 HD11 ' A' ' 6' ' ' ILE . 0.4 OUTLIER -51.4 -44.31 62.17 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.232 -0.44 . . . . 72.44 110.895 -179.965 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -47.71 -30.65 3.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 70.31 110.894 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 22.4 t70 -49.65 -50.6 42.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 60.13 110.851 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.33 -28.72 3.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 70.32 111.158 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.78 25.15 8.71 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.727 -0.749 . . . . 71.42 112.522 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.56 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -54.3 -66.1 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.831 0.348 . . . . 63.51 110.856 -179.84 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.636 ' HB ' HD23 ' A' ' 25' ' ' LEU . 2.7 mp -110.73 142.8 22.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.468 . . . . 65.53 111.129 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -74.16 154.51 39.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 54.23 111.125 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.525 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.7 OUTLIER -55.85 -33.39 64.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.225 -0.443 . . . . 64.21 110.896 179.898 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 66.8 mt-10 -50.65 -53.22 32.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.26 -0.427 . . . . 62.41 110.866 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.487 HD22 HG23 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -51.28 -47.55 62.48 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 45.33 110.942 -179.95 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.614 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -49.91 -34.7 21.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 75.35 110.925 179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.525 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.1 mp -85.9 -53.08 11.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 70.33 111.145 179.887 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.7 mm-40 -51.5 -58.49 6.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.145 -0.48 . . . . 54.44 110.931 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.688 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.0 mm? -56.56 -35.86 68.63 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.129 -0.487 . . . . 72.24 110.907 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -58.41 -70.76 0.13 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.227 -0.442 . . . . 64.14 110.875 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.93 39.01 27.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.126 -0.488 . . . . 64.31 110.872 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -127.55 109.2 11.47 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.079 -0.51 . . . . 74.34 110.831 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.182 -0.463 . . . . 64.02 110.923 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.8 mtp . . . . . 0 N--CA 1.458 -0.053 0 CA-C-O 120.788 0.327 . . . . 74.15 110.87 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 32.0 m-80 -113.49 143.67 44.12 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 73.34 110.89 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . . . . . . . . . 3.6 mttp -103.64 -35.06 8.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.141 -0.481 . . . . 63.01 110.897 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 11.0 mt-10 -82.35 -35.82 27.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 71.25 110.877 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 65.2 t60 -74.49 -45.04 48.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 64.32 110.864 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.921 HG21 HD11 ' A' ' 31' ' ' ILE . 9.2 tt -53.45 -29.48 16.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.182 -0.463 . . . . 71.12 111.132 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.606 HD11 HD21 ' A' ' 35' ' ' LEU . 1.1 mp -50.17 -35.21 25.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.207 -0.451 . . . . 72.15 110.904 179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.547 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -73.92 -35.32 64.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.44 111.136 179.807 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.463 ' O ' HD22 ' A' ' 13' ' ' LEU . 1.5 mp0 -56.55 -56.81 16.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.46 . . . . 64.31 110.903 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -52.85 -28.44 22.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 43.02 110.859 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -77.94 -33.32 51.73 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.244 -0.435 . . . . 72.22 110.894 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.547 HG23 ' O ' ' A' ' 8' ' ' ALA . 84.7 t -56.62 -67.59 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.162 -0.472 . . . . 74.22 111.109 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.575 HD13 ' N ' ' A' ' 13' ' ' LEU . 0.2 OUTLIER -52.74 172.99 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.207 -0.451 . . . . 71.12 110.881 -179.955 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.605 ' HB ' ' HD2' ' A' ' 15' ' ' PRO . 4.2 p -65.9 160.4 62.78 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.564 0.697 . . . . 73.13 111.136 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . 0.605 ' HD2' ' HB ' ' A' ' 14' ' ' THR . 54.2 Cg_endo -69.73 -22.0 32.83 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.654 2.236 . . . . 71.42 112.387 179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 5.3 mt -88.7 -30.66 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 65.34 111.148 179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -83.46 -36.2 24.35 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.0 110.86 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.0 OUTLIER -53.79 -38.64 64.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 74.23 110.908 -179.803 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.91 -31.54 17.89 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 75.31 110.912 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 14.4 m-70 -87.96 -27.23 22.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.12 -0.491 . . . . 64.31 110.878 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.548 ' CZ ' HD21 ' A' ' 25' ' ' LEU . 0.0 OUTLIER -54.83 -28.52 50.28 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.225 -0.443 . . . . 73.55 110.973 -179.89 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.79 ' HA ' HD22 ' A' ' 25' ' ' LEU . 75.7 t -80.37 -20.78 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.095 -0.502 . . . . 64.31 111.143 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.74 -41.33 95.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 61.31 110.92 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 1.2 t60 -72.13 -34.53 68.63 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.221 -0.445 . . . . 71.54 110.873 179.891 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.79 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.4 OUTLIER -53.05 -45.88 68.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.32 110.883 -179.946 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . . . . . . . . . 39.5 m-85 -49.1 -31.05 7.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 74.44 110.916 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 20.8 t0 -48.52 -50.8 30.39 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 74.04 110.89 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.402 HD11 ' HG2' ' A' ' 30' ' ' GLU . 8.1 pt -100.28 -28.39 3.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 70.13 111.126 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.09 26.56 8.29 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 73.31 112.491 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.619 ' HB3' HD12 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -56.69 -65.51 0.6 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.843 0.354 . . . . 60.14 110.925 -179.887 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.921 HD11 HG21 ' A' ' 6' ' ' ILE . 3.1 mp -111.22 140.71 29.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.138 -0.483 . . . . 72.51 111.147 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 78.5 p -83.35 160.24 21.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 71.14 111.149 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.704 ' O ' HD12 ' A' ' 37' ' ' ILE . 14.2 mtmt -56.32 -31.02 63.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 72.15 110.928 179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -48.78 -35.71 14.94 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.22 -0.446 . . . . 73.43 110.881 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.606 HD21 HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -76.31 -53.74 7.77 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.142 -0.481 . . . . 75.14 110.953 -179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.6 OUTLIER -51.72 -36.03 45.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 73.53 110.927 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.704 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.3 mp -80.34 -56.4 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.141 -0.481 . . . . 75.21 111.177 179.891 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 -51.74 -58.72 5.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.13 -0.486 . . . . 62.3 110.871 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 10.6 mp -55.86 -35.89 66.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 72.43 110.942 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -62.97 -69.15 0.28 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.206 -0.452 . . . . 72.44 110.882 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 7.2 t 57.02 39.47 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.113 -0.494 . . . . 52.14 110.858 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -125.53 129.26 49.37 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.115 -0.493 . . . . 70.24 110.919 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.222 -0.445 . . . . 70.44 110.9 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.756 0.312 . . . . 73.2 110.906 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 6.5 m-20 -131.98 63.62 1.61 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.29 -0.414 . . . . 74.21 110.891 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.543 ' O ' HD23 ' A' ' 7' ' ' LEU . 13.7 pttm -69.37 -34.49 74.62 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.205 -0.452 . . . . 65.1 110.862 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -70.22 -40.13 74.72 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 74.24 110.822 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.8 t-160 -77.78 -52.0 9.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 74.44 110.861 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.429 HG22 ' HA ' ' A' ' 3' ' ' LYS . 6.8 tt -52.06 -31.31 13.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 75.01 111.138 179.955 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 35' ' ' LEU . 0.3 OUTLIER -53.95 -31.31 50.13 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.203 -0.453 . . . . 73.22 110.917 179.875 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.539 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -74.51 -33.57 62.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 62.43 111.115 179.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . . . . . . . . . 14.6 mm-40 -54.26 -56.99 12.95 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.196 -0.456 . . . . 65.22 110.97 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.448 ' HE2' HD12 ' A' ' 39' ' ' LEU . 0.1 OUTLIER -54.42 -28.35 43.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.44 110.905 179.916 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.57 -29.41 61.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 60.52 110.865 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.539 HG23 ' O ' ' A' ' 8' ' ' ALA . 30.1 t -83.54 -61.03 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 72.34 111.112 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.478 HD11 ' HB2' ' A' ' 18' ' ' TYR . 2.1 pp -51.6 148.75 5.03 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.215 -0.448 . . . . 62.51 110.903 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . 0.456 ' O ' HD12 ' A' ' 13' ' ' LEU . 0.2 OUTLIER -51.52 163.42 0.59 Allowed Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.541 0.686 . . . . 63.4 111.191 179.908 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 -22.98 31.34 Favored 'Trans proline' 0 C--O 1.231 0.159 0 C-N-CA 122.698 2.266 . . . . 64.23 112.34 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . 0.406 HD13 ' HA ' ' A' ' 16' ' ' ILE . 5.3 mm -73.76 -34.55 41.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.206 -0.452 . . . . 70.24 111.178 179.899 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -80.06 -36.24 35.92 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 50.54 110.889 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . 0.478 ' HB2' HD11 ' A' ' 13' ' ' LEU . 2.4 t80 -59.59 -25.96 65.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 70.42 110.894 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 2.6 mt-10 -57.12 -48.43 78.67 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.144 -0.48 . . . . 62.15 110.894 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 34.4 p80 -88.02 -17.48 31.08 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.51 110.887 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.501 ' CD2' HG23 ' A' ' 22' ' ' VAL . 5.1 t80 -48.32 -49.31 34.56 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.201 -0.454 . . . . 72.22 110.9 -179.855 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.946 HG13 HD11 ' A' ' 31' ' ' ILE . 71.7 t -81.5 -22.15 10.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.149 -0.478 . . . . 75.34 111.153 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 13.1 mmtt -62.33 -35.32 78.72 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.163 -0.471 . . . . 75.42 110.893 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -82.82 -38.05 23.61 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.191 -0.459 . . . . 52.12 110.877 179.927 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.915 HD23 HD12 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -51.75 -38.34 55.01 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 72.53 110.963 179.998 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.408 ' CE1' HG12 ' A' ' 22' ' ' VAL . 37.5 m-85 -49.15 -33.03 11.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.185 -0.461 . . . . 73.11 110.839 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -51.05 -51.12 56.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.139 -0.482 . . . . 75.34 110.86 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 7.8 pt -92.12 -27.99 4.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 64.12 111.167 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 94.75 28.28 10.4 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.75 -0.738 . . . . 54.35 112.458 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.34 -68.7 0.15 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.862 0.363 . . . . 74.11 110.901 -179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.946 HD11 HG13 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -113.95 151.4 15.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.55 111.124 -180.0 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 27.1 p -88.82 155.13 19.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 52.22 111.107 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.702 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.1 OUTLIER -46.72 -32.85 3.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.166 -0.47 . . . . 71.15 110.948 179.872 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -48.4 -38.68 20.16 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.191 -0.459 . . . . 74.15 110.92 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.797 HD11 HD11 ' A' ' 7' ' ' LEU . 2.7 tp -74.45 -54.65 7.14 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.133 -0.485 . . . . 73.24 110.96 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.705 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.2 OUTLIER -49.83 -36.61 27.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 74.1 110.895 -179.971 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.702 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.5 mt -81.52 -56.73 5.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.156 -0.475 . . . . 72.43 111.117 179.931 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -51.0 -58.77 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 65.53 110.888 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.448 HD12 ' HE2' ' A' ' 10' ' ' LYS . 4.3 mm? -55.87 -37.7 69.15 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 70.34 110.914 -179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 1.2 t -61.15 -61.9 2.23 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 55.44 110.904 -179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 32.8 m 53.53 51.25 15.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.105 -0.498 . . . . 55.44 110.875 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.12 -59.52 0.93 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.134 -0.484 . . . . 72.32 110.88 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.157 -0.474 . . . . 62.44 110.918 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.777 0.322 . . . . 33.2 110.915 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ASN . . . . . . . . . . . . . 22.0 m-80 -131.82 -42.02 1.03 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.443 . . . . 71.21 110.862 -179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' LYS . . . . . 0.552 ' O ' HD13 ' A' ' 7' ' ' LEU . 12.5 ttmt 73.39 -64.25 0.4 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 64.35 110.86 179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -82.29 -39.46 22.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 72.22 110.887 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -82.11 -37.12 26.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 71.23 110.835 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' ILE . . . . . 0.672 HG21 HD11 ' A' ' 31' ' ' ILE . 7.8 tt -57.14 -35.13 47.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 74.24 111.149 179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' LEU . . . . . 0.652 HD11 ' CD2' ' A' ' 35' ' ' LEU . 1.9 mp -53.71 -30.42 43.71 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 65.32 110.92 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ALA . . . . . 0.448 ' O ' HG23 ' A' ' 12' ' ' VAL . . . -64.01 -33.95 76.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.34 111.071 179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLN . . . . . 0.408 ' O ' HD13 ' A' ' 13' ' ' LEU . 39.5 mm-40 -62.94 -58.5 7.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.221 -0.445 . . . . 75.12 110.909 -179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.552 ' NZ ' HD12 ' A' ' 39' ' ' LEU . 5.2 ptmm? -55.71 -24.78 36.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.228 -0.442 . . . . 73.04 110.92 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.41 -24.58 63.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 63.15 110.898 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.448 HG23 ' O ' ' A' ' 8' ' ' ALA . 6.1 t -96.58 -46.88 12.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.147 -0.479 . . . . 62.3 111.123 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' LEU . . . . . 0.408 HD13 ' O ' ' A' ' 9' ' ' GLN . 10.1 mp -50.79 156.7 0.91 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.169 -0.468 . . . . 73.14 110.893 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -60.81 162.18 12.94 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.588 0.709 . . . . 64.2 111.138 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.8 -27.8 25.85 Favored 'Trans proline' 0 C--O 1.232 0.209 0 C-N-CA 122.617 2.212 . . . . 70.53 112.333 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ILE . . . . . . . . . . . . . 3.8 mt -84.61 -33.14 8.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.278 -0.419 . . . . 72.25 111.115 179.904 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 25.5 mt-10 -79.31 -36.35 39.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.465 . . . . 65.1 110.901 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' TYR . . . . . . . . . . . . . 0.1 OUTLIER -59.24 -36.77 76.06 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.166 -0.47 . . . . 73.12 110.906 -179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -33.29 32.48 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.12 -0.491 . . . . 73.52 110.885 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -87.55 -28.86 21.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 62.54 110.89 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.516 ' HD2' HG23 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -52.87 -34.62 55.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 74.1 110.936 -179.862 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' VAL . . . . . 0.766 ' HA ' HD22 ' A' ' 25' ' ' LEU . 66.1 t -84.02 -22.29 8.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.09 -0.504 . . . . 70.54 111.122 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LYS . . . . . . . . . . . . . 16.6 mmtm -63.03 -36.23 82.88 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.186 -0.461 . . . . 71.52 110.941 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -78.07 -33.44 50.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 64.22 110.885 179.869 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.766 HD22 ' HA ' ' A' ' 22' ' ' VAL . 0.2 OUTLIER -53.66 -45.91 70.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 62.23 110.921 179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' PHE . . . . . 0.471 ' CE1' HG12 ' A' ' 22' ' ' VAL . 71.8 m-85 -47.24 -30.9 3.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 73.41 110.903 179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASP . . . . . . . . . . . . . 21.5 t70 -49.56 -50.62 41.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.111 -0.495 . . . . 64.53 110.883 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 8.8 pt -99.53 -28.69 3.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 72.0 111.157 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 100.05 25.55 8.92 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.771 -0.728 . . . . 54.05 112.441 179.857 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLU . . . . . 0.583 ' HB3' HD12 ' A' ' 31' ' ' ILE . 3.5 tt0 -55.97 -64.66 0.78 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.78 0.324 . . . . 61.43 110.905 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.672 HD11 HG21 ' A' ' 6' ' ' ILE . 2.9 mp -110.76 142.38 23.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.156 -0.474 . . . . 74.33 111.148 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 9.3 p -74.44 154.06 38.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 65.24 111.152 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.533 ' O ' HD12 ' A' ' 37' ' ' ILE . 0.0 OUTLIER -56.06 -33.05 64.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.245 -0.434 . . . . 73.51 110.867 179.933 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 44.6 mt-10 -51.2 -52.48 44.04 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.247 -0.433 . . . . 54.24 110.924 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LEU . . . . . 0.652 ' CD2' HD11 ' A' ' 7' ' ' LEU . 0.8 OUTLIER -50.16 -47.78 54.19 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 72.34 110.898 -179.986 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' TYR . . . . . 0.666 ' HB2' HG11 ' A' ' 22' ' ' VAL . 0.1 OUTLIER -50.37 -34.51 24.33 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 75.23 110.878 -179.966 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.533 HD12 ' O ' ' A' ' 33' ' ' LYS . 2.2 mp -85.8 -54.33 8.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.151 -0.477 . . . . 65.02 111.13 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.88 -58.39 6.1 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 72.4 110.901 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.552 HD12 ' NZ ' ' A' ' 10' ' ' LYS . 4.0 mm? -57.54 -35.96 70.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 75.12 110.916 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 2.0 m -64.78 -78.69 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 62.54 110.849 -179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 10.6 t 59.06 -87.98 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 54.04 110.877 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ASP . . . . . . . . . . . . . 33.1 t0 69.52 -70.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.131 -0.486 . . . . 74.33 110.9 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.159 -0.473 . . . . 61.3 110.947 -179.958 . . . . . . . . 1 1 . 1 stop_ save_